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ACC - 2019

Publishing Partner

Applied Catalysis and

Chemical Engineering

International Conference on

April 08-10, 2019

Crowne Plaza by DeiraSalahuddin Rd-DubaiUnited Arab Emirates

Venue

MONDAY, April 08, 2019

DAY1

Keynote Presentation

ACC-2019 I APRIL 08-10, 2019 I DUBAI, UAE03

Towards an Industrial Production of Hydrogen Through Catalytic Autothermal POX/Dry Reforming of Methane

Oxidative Dehydrogenation of Propane (ODH) into Propylene on Metal-Containing Zeolite Catalytic Systems

Jnicolas Abatzoglou *, Frank Dega and Mostafa Chamoumi

Stanislaw Dzwigaj

Université de Sherbrooke, Sherbrooke, Canada

The diversification of energy sources, especially using non-fossil resources, is an efficient way to contribute to the solution of both environmental and socio-political issues. Hydrogen produced from renewable sources, such as biomass, appears as one of the potential future energy and raw material vectors. Currently, H 2 is mainly produced through natural gas and biogas catalytic steam reforming.

This work belongs to a larger endeavour aimed at developing a new family of spinel-based catalysts. More specifically, this study targets the optimization of hydrogen production through a POX/Dry reforming of methane, operated close to the autothermal regime. The used patent-pending catalyst is a spinellized nickel formulation prepared from an ilmenite- derived negative value upgraded slag oxide (UGSO) coming from a TiO2 slag production unit operated by Rio Tinto Iron & Titanium, Quebec, Canada.

The initial tests have been done in a tubular fixed bed reactor at 800-850°C, m cat = 0,3g, atmospheric pressure, space velocity between 4000 and 4600 ml STP /h/g cat and molar ratio of CH4 /CO2 = 3. The experiments revealed that CH4 /O2 = 2 molar ratio is the optimum condition, at 850°C. At these conditions, the conversion of CH 4 and CO reached 99% and 65% respectively while the selectivity of H 2 and CO was 104% and 79% respectively.

An endeavour to evaluate the proposed process at kg-lab scale (3 000 times bigger than the g-lab tests) is underway. A reactor, able to be operated at pressures up to 30 atm and temperature of 850°C, has been built and the data will be available to be presented in the conference.

Nicolas Abatzoglou is full professor and ex-Head of the Department of Chemical & Biotechnological Engineering of the Université de Sherbrooke. He is Adjunct Professor at the University of Saskatchewan and Laval University. He is a Fellow of the Canadian Academy of Engineering.He is a specialist in Process Engineering involving particulate systems. He is theDirector of the GRTP-C&P (Groupe of Research on Technologies and Processes in the Chemical & Pharmaceutical Industry). Since May 2008, he is the holder of the Pfizer Industrial Research Chair in Process Analytical Technologies (PAT) in Pharmaceutical Engineering. He is co-founder of the company Enerkem Technologies Inc., precursor of Enerkem Inc., a spin-off commercializing technologies in the field of energy from renewable resources. His scientific production includes a 100+ publications, reviews, conferences, keynotes, plenaries and invited lectures, patents and three book chapters.

Sorbonne University, France

The transition metals well dispersed at zeolite framework are considered to be active sites of catalytic processes. Therefore, the incorporation of these metals into the microporous zeolite materials as isolated

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tetrahedral sites appears to be the important task. We have earlier shown that the incorporation of transition metal ions into vacant T-atom sites of framework zeolite is strongly favored when, in the first step, zeolite is dealuminated by treatment with nitric acid solution and then, in the second step, the incorporation of transition metal ions in zeolite framework results in the reaction between the cationic metal species of the precursor solution and the SiO-H groups of vacant T-atom sites created by dealumination of zeolite.

During the plenary talk the design of new single-site zeolite catalysts with transition metal species (V, Cr, Co) will be described and characterized by different physico-chemical techniques both at the macroscopic (chemical analysis, XRD, BET, thermal methods (TPR, TPO, TPD), TEM) and molecular levels (FT-IR, NMR, diffuse reflectance UV-Vis, XPS, EPR, XAFS).

The application of metal-single site zeolite catalysts in oxidative dehydrogenation (ODH) of propane into propene will be discussed. The two-step postsynthesis method applied in this work allowed obtaining single sites V-, Cr- and Co-containing zeolite catalysts with isolated mononuclear metal species active in ODH process.

Their catalytic activity strongly depends on the speciation and amount of metal incorporated into zeolite structure.

Stanislaw Dzwigaj was trained in chemistry in Institute of Catalysis and Surface Chemistry, Krakow (Poland) where he obtained his PhD in Science in 1982 in the group of Prof. Jerzy Haber. After a postdoctoral stay at the Laboratoire de Réactivité de Surface Université P. et M. Curie (Paris, France) in the group of Dr Denis Barthomeuf (1987-1988) he obtained in 1990 a position of contract researcher in the same Laboratory devoted to surface reactivity in relation to catalysis phenomena. Then, in 2008 he obtained permanent position in CNRS as a researcher. On February 19, 2014 for outstanding scientific achievements he received the title of professor.

KAUST Catalysis Center, Saudi Arabia

"Predictive catalysis" or "catalysis by design" in heterogeneous catalysis has recently benefited from using "surface organometallic fragments" (SOMF) or Surface Coordination fragments (SCF) to enter any presumed catalytic cycle. These conceptual tools in which one or several fragments of the molecule are linked to metal grafted on the surface (M-H, M-R, M=CR2, M?CR, M=O, M=NR) became the logical continuation of the abundant work published in the field of Surface Organometallic Chemistry (SOMC). To note, SOMC has produced new catalytic reactions (e.g. Ziegler Natta depolymerisation, alkane metathesis, non-oxidative methane coupling etc...) and had improved the activity or selectivity or life time of known ones. The catalytic mechanisms employs the concepts of molecular chemistry (organic, organometallic, coordination chemistry) to explain how bonds can be broken and reformed. In this context, the reactivity of "surface organometallic fragments" (SOMF) or Surface Coordination fragments (SCF) is pivotal to the outcome of the catalysis.

Both types of fragments were identified within SOMC as it allows the isolation of single-site well- defined heterogeneous catalyst. SOMC can generate catalytic sites that are in principle identical (single-site or single atom) by grafting transition metal atoms onto highly dehydroxylated metal oxide support handled under controlled atmosphere. This strategy presents considerable advantages over traditional heterogeneous catalysts in which various populations of metallic potentially active sites coexist.

In this framework, all the steps of the preparation are carefully controlled with the concepts and tools of organometallic and/or coordination chemistry. Hence, the coordination sphere of the grafted metal can be determined with a high degree of accuracy (well-defined catalytic site) by the modern solid characterization tools (Surface Microanalysis, in situ IR, in situ UV, in situ solid state NMR, EXAFS and in operando EXAFS, etc... ). It means that all atoms coordinated to the metal or in its close vicinity are identified. Another benefits came from the surface to be considered as a rigid ligand, preventing in most cases undesired interferences between the

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Predictive Heterogeneous Catalysis by Design: Well-Defined Single-Site Catalysts

J-M Basset

catalytic sites (e.g. by bimolecular deactivation in homogeneous catalysis). Within this framework, the relationship between structure and activity become possible; with the addition of the SOMF tools, it becomes predictable. It is now possible to follow the various steps of the catalytic cycle, understand deactivation, increase activity and/or selectivity by changing the support or ligand environment of the active site. The existing gap which was existing between heterogeneous catalysis and homogeneous catalysis has completely disappeared and a new domain is emerging. We shall review here some of the recent catalytic results obtained on oxides. References Pelletier, J. D. A.; Basset, J.-M. Acc. Chem. Res. 2016, 49 (4), 664-677 and references therein Ibidem, Chem. Soc. Rev. In press 2018

Jean-Marie Basset is the Distinguished Professor for Chemical Science in the Physical Science and Engineering Division at King Abdullah University of Science & Technology. Prof. Basset, who has authored more than 500 scientific papers 50 patents, pioneered the field of "Surface Organometallic Chemistry", which focuses on possible relationships between homogeneous and heterogeneous catalysis. Basset received his PhD in 1969 from the University of Lyon, France. After a postdoctoral position in Toronto he moved to the Institute of Catalysis in Lyon where he became vice-director. In 1987, he founded the Laboratory of Surface Organometallic Chemistry that became later the laboratory of Chemistry, Catalysis, Polymer, Process (C2P2). Professor Basset's Lyon lab was home to 100 scientists, including Nobel Laureate Yves Chauvin who got his Nobel in 2005. In 2009 he moved to the King Abdullah University of Science and Technology in Saudi Arabia as director of the KAUST Catalysis Center.

Indian Institute of Technology, Kharagpur, India

Fenton and Fenton-like processes are extensively applied for pollutant degradation in the field of environmental engineering. In the present work, a novel approach has been made, where alumina is modified with sodium dodecyl sulfate (an anionic surfactant). Under suitable conditions, the surfactant forms bilayer (admicelle) on alumina surface, which adsorbs the catalyst Co(II). The newly formed catalyst is designated as Co-SMA. In this report, we described the degradation of methyl orange (MO) by application of Co-SMA under heterogeneous photo-Fenton process in the presence of H2O2 and visible light. Effect of various independent variables such as dose of catalyst, initial concentration of the dye, H2O2 concentration, intensity of visible light and pH have been studied. The turn over frequency (TOF) was found to be 6.8×10 20 molecules/g/second. The catalyst is recycled up to fourth cycle with 70% MO degradation efficiency. The process parameters were optimized by response surface methodology (RSM) approach. The optimum conditions for MO decolorization were 30 mg/L MO, 29.92 g/L Co-SMA, 37.9 mM H2O2and 4.31 pH. Under these conditions the MO decolorization efficiency was 94.79%. The kinetic behaviour and mechanistic aspect of the reaction is discussed in detail.

Anjali Pal graduated from Calcutta University in chemistry and now a professor in the department of civil engineering, Indian Institute of Technology, Kharagpur. Pal is actively engaged in teaching and research in the field of environmental engineering and science. She has published 190 research papers. Dr. Pal has received an International Hall of Fame award (USA), R & D 100 award (USA) and convention award from the Indian Chemical Society. She has visited many countries as a visiting professor. She is working in the field of adsolubilization, catalysis and advanced oxidation process mainly for environmental remediation.

Biography

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Biography

Photo-Fenton Process for Decolorization of Methyl Orange: Co(II)-Adsorbed Admicellar Soft-Template on Alumina Support as a Heterogeneous Catalyst

Transition Metal Catalyzed Selective B-H Functionalization of Carboranes

Prateeksha Mahamallik, Anjali Pal*

Zuowei Xie



The Chinese University of Hong Kong, China

Carboranes are a class of polyhedral boron hydride clusters in which one or more of the BH vertices are replaced by CH units. They constitute a class of structurally unique molecules with exceptionally thermal and chemical stabilities and the ability to hold various substituents. These properties have made them useful basic units in supramolecular design, medicine, catalysts and materials. However, their unique structures make derivatization difficult, resulting in a limited application scope. Thus, it is important and necessary to develop new methodologies for the functionalization of carboranes. Inspired by transition metal catalyzed C-C/C-B bond forming reactions via benzene C-H activation and our earlier work on transition metal mediated multicomponent cross-cycloaddition for the preparation of benzocarboranes, we have developed transition metal catalyzed regioselective direct cage B-H functionalization of o-carboranes including cage B(4,5)-dialkenylation, B(4,5)-diarylation, B(4)-alkenylation, B(4)-alkynylation, B(4)-amination, and B(4)- hydroxylation.

Zuowei Xie obtained a BSc from Hangzhou University (1983) and a MS from the Shanghai Institute of Organic Chemistry (SIOC), Chinese Academy of Sciences (1986). After earning a PhD from SIOC in 1990, working in a joint Ph.D. program between Technische Universität Berlin and SIOC, he moved to the University of Southern California as a Postdoctoral Fellow. He then joined the Department of Chemistry at The Chinese University of Hong Kong in 1995 as an Assistant Professor, and was promoted to Choh-Ming Li Professor of Chemistry in 2013. His research focuses on boron and carborane chemistry.

Indian Institute of Technology, Kharagpur, India

Phosphomolybdate is a canary yellow heteroployanion complex. Such type of complex compounds have been applied extensively as catalyst and precipitant for numerous dyes. In the complex ions heteroatom, P(V) of PO43- sits inside "cavities" formed by MoO6 octahedra and oxygen atoms of PO43- are bonded to oxygen atoms of the adjacent MoO6 octahedra. The cavity depends on the ratio of the heteroatoms to parent Mo atoms. In so doing typical 1:12 tetrahedral compounds are easily formed with Mo(VI) and PO43- as reported by Berzelius in 1936. The compound bears Keggin structure (PMo12O40 )3- . During the past decade there has been a resurgence of interest in the area of catalysis because of the relationship of similar matrices to metal oxide-type catalyst. Chromism from precipitated phosphomolybdate-malachite green dye moiety (PMMG) is reported for the first time. Water molecule can remain bound to PMMG matrix through H-bonding interaction. Again, the binding of water is reversible that brings chromism (green-yellow reversible color change). Interestingly the PMMG moiety is green with bound water and yellow without water. The green matrix has been accounted for dinitrogen or dioxygen binding. Nitrogen or oxygen binding vis-à-vis chromism has a new insight for catalysis.

Tarasankar Pal worked in the Department of Chemistry, IIT, Kharagpur and now a distinguished visiting professor for university of Johannesburg, South Africa. He has published about 400 papers. Recently ACS has highlighted him amongst 20 Indian authors for high-quality research. Prof. Pal has received numerous national and international awards including ISCAS gold medal, R & D-100 Award from the U.S.A. His research interests include syntheses and applications of metal and semiconductor nanoparticles for catalytic and spectroscopic applications including surface-enhanced Raman scattering (SERS) studies. His 'arsenic detection kit' and 'bench marked model reaction' deserve special mention.

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Chromism of Phosphomolybdate-Dye Moiety: A Stimulating Matrix for Nitrogen and Oxygen Binding

Anup Kumar Sasmal, Arun Kumar Singh and Tarasankar Pal*


Hydrodechlorination of Trichloroethylene Using Pd Catalysts Supported on Swellable Organically Modified Silica (SOMS)

The Role of K, Rh and Ce in the Di-Air NOx Abatement Technology for the Highly Selective and Reactive Reduction of NO into N2

1 1 1 2Umit S. Ozkan , Gokhan Celik , Saurabh Ailawar , Paul Edmiston

Michiel Makkee

1The Ohio State University, USA2 The College of Wooster, USA

Trichloroethylene (TCE) is a major groundwater contaminant with maximum concentration limit (MCL) of 5 ppb in drinking water, as reported by US. E.P.A. Some of the conventional techniques to remove TCE from water include adsorption on activated carbon, air-stripping and oxidation. These methods suffer from issues such as transfer of TCE from one medium to another without its actual degradation or use of strong oxidants. Catalytic hydrodechlorination (HDC) of TCE is an elimination-based remediation technology which converts TCE to simple hydrocarbons. The state-of-the art catalyst used for this purpose is Pd/Al2O3. The major obstacles faced by Pd/Al2O3 during HDC of TCE include slow kinetics due to low TCE concentration in groundwater, inhibition by HCl (side product) and poisoning by anions present in groundwater such as chlorides, sulfates, and nitrates. A novel material, swellable organically modified silica (SOMS), has been studied as a catalyst support to overcome these obstacles, owing to its unique characteristics, such as high absorptivity for organics, its swellability and its hydrophobicity. Characterization experiments were performed under ex-situ and in-situ conditions using techniques such as extended X-ray absorption fine structure (EXAFS), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM), energy-dispersive X-ray analysis (EDAX), inductively coupled plasma optical emission spectrometry (ICP-OES), mass spectrometry, laser Raman spectroscopy. Properties of Pd/SOMS providing resistance to deactivation will be presented.

Umit S. Ozkan is a Distinguished Professor of Chemical Engineering at The Ohio State University, where she served as a faculty member since 1985. Her current research interests include alternative fuels, fuel processing, catalytic phenomena involved in fuel cells, catalytic and electrocatalytic oxidation, environmental catalysis, emission control, and hydrogenation and hydrogenolysis of heteroatom compounds. She has edited five books, has written over 200 refereed publications and book chapters, given over 300 conference presentations and over 125 invited lectures in 20 different countries. She has six patents. She is a fellow of the American Association for the Advancement of Science (AAS), American Institute of Chemical Engineers (AICHE), and American Chemical Society (ACS).

Delft University of Technology, The Netherlands

The NOx abatement in more fuel economic lean-burn (diesel) engine remains an ultimate challenge. The current state of the art NOx Storage and Reduction, Urea-SCR technologies, and combination thereof to control NOx emissions, cannot meet NOx emission standards under the real driving conditions. Therefore, a highly efficient DeNOx system is required. The recent developed Di-Air (Diesel NOx after treatment by Adsorbed Intermediate Reductants) system opts to meet emission standards in the real driving conditions. Oxygen defects in a reduced ceria catalyst have found to act as the vital catalytic sites for a complete NO reduction into N2 for this system. The reactivity of NO towards oxygen defects could be an issue in a typical diesel exhaust where approximate 200 ppm NO has to compete with 5% O2, 5% CO2, and 5-10% H2O. NO2 and N2O are commonly reported side

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products. The promising performance of Di-Air system in the high temperature and high space velocity can be explained by that oxygen defect sites in and carbon deposits on the reduced Rh on ceria. The reduced ceria is extremely active and selective for the NO reduction into only N2 even in the presence of an excess of oxygen. The existence of buffer reductant (deposited carbon during fuel injection) extends the NO reduction duration, which makes the Di-Air system not only to rely on the capacity and storage rate of NOx storage materials.The addition of K has a negative effect on the selectivity due to the slip of NOx, the formation of NH3 and N2O.

Michiel Makkee is a Chemical Engineer by education with strong liaison to innovation and practical applications. I invented the first process intensification on the combined action of an enzyme and metal catalyst; developed two different commercial applications of catalytic diesel soot abatement, two different NOx abatement in greenhouses, contributed to refinery catalysis and engineering, and catalysis in the bulk and biomass industry. He published more than peer reviewed 275 articles with 10600 citations (H-factor of 58) and invented 25 patents. Over the years I have raised M€ 14.5 and 150 man years mostly in the third money stream.

1 National Central University, Taiwan2 China Steel Corporation, Taiwan.

Various Cu-based and Mn-based catalysts are prepared and evaluated for the reduction of NO with CO process. The results indicate that Cu-Ce-Fe-Co/TiO2 and Mn-Ce-Fe-Co/TiO2 show the best catalytic performance for the reduction of NO with CO process among Cu-based and Mn-based catalysts, respectively. The highest conversions of NO and CO achieved with Cu-Ce-Fe-Co/TiO2 reach 100% and 79%, respectively, with the operating temperature of 250?, while 100% and 70% are achieved with Mn-Ce-Fe-Co/TiO2 for the gas streams containing 200 ppm NO and 200 ppm CO. The results reveal that both modified catalysts (e.g., Cu-Ce-Fe-Co/TiO2 and Mn-Ce-Fe-Co/TiO2 ) have good activities for CO + NO reaction. Overall, Cu-Ce-Fe-Co/TiO2 has better tolerance for O2, SO2 and H2O (g) than Mn-Ce-Fe-Co/TiO2. It is concluded that good catalytic performance of Cu-Ce-Fe-Co/ TiO2 is attributed to good surface properties, i.e., reducibility, oxygen mobility and more oxygen vacancies. Additionally, apparent activation energy of 54.2 kJ/mol is calculated using Mars-Van Krevelen model for reduction of NO with CO process with Cu-Ce-Fe-Co/TiO2 as catalyst. Further, active component Cu-Ce-Fe-Co is loaded on activated carbon (AC) to form Cu-Ce-Fe-Co/AC, which is applied as catalyst for durability test. The results indicate that NO conversion achieved with Cu-Ce-Fe-Co/AC maintains at 100% during 240 min operation period, even in the simultaneous presence of O2 , H2O (g) and SO2. Overall, this study demonstrates that Cu-based catalyst is promising for the reduction of NO with CO process.

Moo Been Chang received the Ph.D. degree in environmental engineering from University of Illinois at Urbana-Champaign in 1991. He is a distinguished professor with the Graduate Institute of Environmental Engineering, National Central University, Taiwan. His research interests include application of non-thermal plasmas for gaseous pollutant removal and clean energy generation. Also, he is active in developing innovative technologies for reducing dioxin emissions.

Poznan University of Technology, Poland

Electrospinning materials posess a great potential in many various branches of science and industry due to their

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Catalytic Reduction of NO by CO with Cu-based and Mn-Based Catalysts

Laccase-Electrospun Fibers as an Effective Tools for Environmental Protection

Kuan Lun Pan1, Chyi Woei Young2 and Moo Been Chang2*

Jakub Zdarta*, Katarzyna Antecka, Teofil Jesionowski


structural and functional features, such as high surface area and porosity, biocompatibility, nontoxicity, biodegradability as well as hydrophilicity and exceptional mechanical strength. Moreover, the electrospun materials are known from uniformity of diameter, diversity of composition and lenght of single fiber. Preparation of those materials via electrospining technique could be carried out suing simple polymers (i.e. poly(viny alcohol), polyaniline, polystyrene) or copolymers, such as poly(D,L-lactide-co-caprolactone) that is a promising approach to produce functional materials, that might be used as a supports for enzyme immobilization. Enzyme immobilization is a process that based on the attachment of the enzyme to the solid support. As a result, stability of the immobilized biocatalysts is imporved, as compared to the free enzyme. However, the greatest advanatage of the immobilization, is the reusability of the enzymes, that significantly boost their practcical application. Enzymes from varios catalytic groups are commonly used in many fields of industry. Nevertheless, in recent years, there is still growing interest in application of enzymes for environmental protection. Biocatalysts such as laccases, tyrosinases and other peroxidises could be use for biochemical detection or conversion of hazardous pollutants such as phenol and its derivatives, dyes or even pharmaceuticals and hormones into less toxic compounds. Thus, in the presented study, poly(D,L-lactide-co-caprolactone) electrospun nanofibers were synthesized and used for adsroption and encapsulation immobilization of laccase. Further, the biocatalytic systems were applied for biodegradation of pharamceuticals compounds from wastewaters.

Acknowledgments: This work was supported by the National Science Centre Poland under research project no. 2017/27/B/ST8/01506.

Received the Ph.D. at the Faculty of Chemical Technology, Poznan University of Technology in 2017. From 2017-2018 was a postdoc researcher at Center for BioProcess Engineering at DTU Chemical Engineering, Technical University of Denmark and now works at the Faculty of Chemical Technology, Poznan University of Technology. Research area focuses on enzyme immobilization using various types of support materials and different groups of biocatalysts. During doctoral studies, participated in numerous programs that supported scientific carrier and mobility including Opus, Preludium and Etiuda financed by National Science Center Poland. During last 5 years he published over 30 peer-reviewed articles.

1Huazhong University of Science and Technology, China2South-Central University for Nationalities, China

Single-atom catalysts with a maximum atomic utilization rate are promising in the field of wastewater treatment. Herein, single-atom dispersed Co-N-C was prepared by a calcinations and acid treatment method with the assistance of Mg(OH)2 , and further verified by a series of characterizations. The obtained Co-N-C was confirmed to possess excellent performances of both adsorption and catalytic ability of activating peroxymonosulfate (PMS), which were greatly influenced by calcination temperature. It was found that the adsorption performance was related to the surface area and pore volume, and the removal extent of bisphenol A (BPA) was determined by the defect density. At a calcination temperature of 900°C, the obtained Co-N-C-900 showed the best adsorption and catalytic performance. All the added BPA (80 mg L ?1 ) was completely degraded in 3 min and mineralized in 10 min by using 0.5 g L ?1 Co-N-C-900 and 0.3 g L ?1 PMS. In this novel single-atom catalytic system, the main reactive species were confirmed to be singlet oxygen, instead of the conventional sulfate radical or hydroxyl radical. A mechanism study suggested that the fast and efficient degradation of BPA was attributed to the synergistic effect between fast adsorption of mesoporous carbon and efficient catalysis of single-atom Co-Nx complex. Based on the degradation intermediates identification, the possible degradation pathway of BPA was also proposed.

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Single-Atom Dispersed Co-N-C: A Novel Adsorption-Catalysis Bifunctional Material for Rapid Removing Bisphenol A

Mantang Chen1, Lihua Zhu1* and Heqing Tang2*


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Mantang Chen received his BS degree in 2014 and MS degree in 2016 from Huazhong University of Science and Technology, China, before joining a PhD program in the same university. He is currently a PhD candidate under the guidance of Professor Lihua Zhu. His research interests focus on the preparation of environmental catalytic material and their applications for the wastewater treatment.

1 Boreskov Institute of Catalysis, Russia2 Novosibirsk State University, Russia3 Nikolaev Institute of Inorganic Chemistry, Russia4 Karlsruhe Institute of Technology, Germany5 Monash University, Victoria 3800, Australia6 Irkutsk National Research Technical University, Russia

Chlorinated hydrocarbons (CHCs) and related wastes are known to be hazardous substances for environment and human health. Catalytic processing of CHCs into carbon nanomaterial (?NM) attracts much attention as an effective way of organochlorine waste disposal. Here we report an effect of Pt on catalytic activity of Ni in decomposition of 1,2- dichloroethane (DCE) as well as upon the structure of produced CNM. Series of sponge-like alloys Ni-Pt (1-25 at.%) was prepared by co-precipitation technique followed by sintering in H 2 at 800°?. Formation of Ni-Pt alloys was proved by XRD data. Samples of bulk alloys were then used as precursors for the self-organizing catalysts (SOCs) Formation of SOCs took place in reaction atmosphere (DCE/H 2 /Ar = 7/37/56, vol.%) during the decomposition of DCE at 550-700°? as a result of rapid disintegration of Ni-Pt alloys. Disintegration has let to emergence of disperse metallic particles which are functioning as active centres for CHCs decomposition with production of CNM. Introduction of Pt into Ni-alloy was shown to have stabilizing effect on catalytic activity and stability of nickel. Best performing Ni-Pt catalysts were successfully tested for catalytic processing of real organochlorine wastes reproduced by mixture of aliphatic chlorinated hydrocarbons. It was established that produced carbon filaments are characterized with well-expressed segmental structure in which the blocks of densely and loosely packed graphenes are regularly stacked. More characteristics of segmented CNFs examined by Raman, BET and XPS, as well as mechanistic aspects of their formation, will be discussed in detail.

Mishakov studied Chemistry at the Novosibirsk State University, Russia and graduated with honour as Magister in 2000. He did his research work in the lab of Prof. Buyanov at the Boreskov Institute of Catalysis (BIC), Russian Academy of Sciences. He received his PhD degree in 2002 at the BIC. In 2003 Dr. Mishakov did his postdoctoral research in Prof. Klabunde's group at Kansas State University (USA). He is currently an Associate Professor and Lecturer at the Faculty of Natural Sciences in Novosibirsk State University. Dr. Mishakov has published almost 100 research papers in journals (indexed in Scopus).

University of Zagreb, Croatia

Processing of Organochlorine Waste over Self-Organizing Ni-Pt Catalysts with formation of Segmented Carbon Nanofibers

Mathematical Modelling of Lipase Catalysed Biodiesel Synthesis in a Microreactor

Ilya Mishakov1,2*, Yurii Bauman1, Yuliya Rudneva3, David Rieder4, Yurii Shubin2,3, Denis Korneev5, Svetlana D'yachkova 6 and Aleksey Vedyagin1

Ana Jurinjak Tušek, Martin Gojun, Anita Šali? and Bruno Zeli?*


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Development of green, clean and sustainable processes presents new challenges in today's science. Production of fuel is no exception. Utilizing various renewable sources, synthesis of biodiesel, characterised as more environmentally-friendly then fossil fuel, has drawn significant attention. Although, process based on chemical transesterification in a batch reactor still presents the most used method for its production, enzyme catalysed synthesis of biodiesel in a microreactor could be a new approach for going green. In this research, edible and waste cooking sunflower oil and methanol as substrates and lipase from Thermomyces lanuginosus (Lipolase L100) as a catalyst were used for biodiesel synthesis in a microreactor. For a residence time of 14 min a fatty acids methyl esters (FAME) content was higher than 25%. In order to enhance productivity of the process, a mathematical model was developed. After validation on independent experimental data, a proposed model was used for process optimization in order to obtain highest FAME content for shortest residence time.

1Yuan Ze University, Chung-Li District, Taiwan2 National Synchrotron Radiation Research Centre, Taiwan3National Taiwan University, Taiwan4 Chung Yuan Christina University, Taiwan

Soybean oil containing a fatty free acid (FFA; palmitic acid, 5.0 wt%) was converted to biodiesel by a two-step process in a catalytic fixed-bed batch reactor using SO4 2- /ZrO2 / Al2O3, KF/CaO-Fe3O4 , and Na/NaOH/Al2O3 catalysts. A solid superacidic (SO4 2- / ZrO2 /Al 2 O 3 : 0.1-1.5 M H2SO4 ) and two solid superbasic (KF/CaO-Fe3O4 , 5-25 wt% KF; Na/NaOH/Al2O3, 10-25 wt% NaOH) catalysts were prepared by calcination at 300-700 °C and 200-700 °C, respectively. Notably, the FFA removal efficiency of SO42- /ZrO2 / Al2O3 (80.0%) was much higher than that of commercial Amberlyst IR 120 (30.0%) in a 3-h reaction. Optimal biodiesel yields were obtained using KF/CaO-Fe3O4 (83.0%) and Na/NaOH/ Al2O3 (100.0%). Catalytic reaction mechanisms of the conversion of soybean oil with FFA into biodiesel using solid superacidic and superbasic catalysts were also proposed. The FFA and soybean oil were converted to biodiesel over the superacidic and superbasic catalysts, respectively.

Kuen-Song Lin, a senior professor of Department of Chemical Engineering and Materials Science, Yuan Ze University in Taiwan. He is also the director of Environmental Technology Research Centre (ETRC) and dean of Research and Development (R&D office) in Yuan Ze University. His research topics includes the waste recycling/reutilization, on-site soil/water pollution remediation, environmental/photocatalytic catalyst preparation technologies, hydrogen storage, carbon capture, and sustainable energy generation.

Huazhong University of Science and Technology, China

Enhancement of Biodiesel Production via Sequential Esterification and Transesterification over Solid Superacidic and Superbasic Catalysts

Reductive Debromination of Polybrominated Diphenyl Ethers: Dependence on Br Number of the Br-rich Phenyl Ring

Understanding the Lifetime of Ni Supported Catalysts during the Steam Reforming of the Oxygenated Volatiles

Kuen-Song Lin1*, Chao-Lung Chiang1,2, Chia-Wei Shu1, Jeffrey Chi-Sheng Wu3 and Kevin Chia-Wen Wu3 and Yu-Tzu Huang4

Shun Guo


Derived from Biomass Pyrolysis

Fuel Production From Waste Co2 Using Renewable Energies

Aitor Ochoa, Aitor Arregi, Maider Amutio, Ana G. Gayubo, Martin Olazar, Javier Bilbao and Pedro Castano*

Stefano Falcinelli1*, Andrea Capriccioli2 and Antonio Laganà3

University of the Basque Country, Spain

The sources of hydrogen are limited to hydrocarbons, such as natural gas, naphtha and heavy oils. In this scenario, biomass is an attractive source of H2, given that its carbon- neutral nature. This work focuses on the evolution of catalyst deactivation used in the second step of the sequenced pyrolysis-reforming of biomass for hydrogen production. For this aim, we have monitored the evolution of the catalyst and coke at different stages of deactivation. The biomass (pine wood) pyrolysis was carried out in a spouted bed reactor at 500 °C, and the in-line steam reforming of the pyrolysis volatiles in a fluidized bed reactor at 600 °C. Samples of deactivated catalyst have been collected at different reaction times, and have been analyzed by XRD, adsorption-desorption of N2, SEM and TEM microscopy, TPO, and Raman and FTIR spectroscopy. The results [1] show that deactivation occurs mainly due to the encapsulation of Ni particles by coke, as well as Ni sintering, to a lesser extent. Coke encapsulation is attributed to the condensation of oxygenates (particularly phenols). As the deposition of encapsulating coke decreases with the reaction time, the deposition of coke on the catalytic support, formed by the thermal decomposition of phenols from the reaction medium, is promoted. [1] A. Ochoa, A. Arregi, M. Amutio, A.G. Gayubo, M. Olazar, J. Bilbao, P. Castaño, Appl. Catal. B Environ. 233 (2018).

Pedro Castano received his MSc and PhD degrees in Chemical Engineering from the University of the Basque Country (UPV/ EHU) in 2002 and 2006, respectively. He was hired as postdoc in TU Delft, working on multiphase microreactors. After some voluntary work, he was hired as a Ramon y Cajal fellow (2009) and Associate Professor (2013) at the UPV/EHU. He has also worked in MIT, UWO, ICP-CSIC and UU. His research interests as principal investigator are in thermo-chemical-electrochemical waste processing, heterogeneous catalysis engineering and deactivation, surface spectroscopy and multiscale modelling.

1University of Perugia, ITALY2ENEA C.R. Frascati, ITALY3 Master-up srl, ITALY

A research aiming at reusing CO2 and implementing a validated laboratory technology based on a prototype methanation reactor (called ProGeo) producing carbon neutral methane through the chemical conversion of CO2 waste ?ue gases using renewable energies is presented. Preliminar experimental determinations of methane yields by ProGeo have been carried out using CO2 either by commercial bottles as well as carbon dioxide produced (in the ratio of 1.9 kg per liter) from grapes fermentation of Marsala wine (from Sicily, Italy). The obtained results show a complete compatibility with the used catalyser being a commercial KATALCOJM 11-4MR produced by Johnson Matthey (UK). The ProGeo reactor was designed to produce a CH 4 ?ux of 1 Nm 3 /h, using the well known Sabatier reaction at a high pressure (2-3 atm) and temperature (200-300°C). The goal is to use either low cost or renewable energy to reuse waste CO2 to produce methane in a circular economy scheme. We have also undertaken the investigation of a new methanation pathway aimed at avoiding the use of the solid catalyst, by exploring mechanisms involving a plasma generation by electrical discharges or by vacuum ultraviolet (VUV) photons on CO2 +H2 gas mixtures. Measurements performed using a microwave discharge, gave useful indications on how to proceed to develop alternative solutions to the present Ni catalysed Progeo apparatus. The results are expected to provide better scientific understanding and guidance of carbon neutral technologies enabling industry and regional authorities to incorporate them into future energy systems for innovation and sustainable development.

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Stefano Falcinelli is a professor of chemistry and materials technology - University of Perugia (ITALY). 1997-1998: visiting scientist in the Physics Department of Trento University (Prof. DavideBassi). 2013 July-September: visiting professor in the Department of Chemistry - University of Rochester, NY - U.S.A. (J.M. Farrar group). 2014 June-September: "visiting professor" in the Chemistry Department of Stanford University, CA (USA) - Prof. Richard N. Zare. 2017 June-July: visiting professor at the "Laboratoire de Physique des Lasers" UMR 7538 - CNRS - Université Paris 13 (France). Co-author of 1 book and 146 scientific publications - h index=23; citations = 1200 (by WoS and SCOPUS); corresponding author on 37 papers.

Tianjin University, China

Due to the increasing energy and environmental problems, it is urgent to develop the clean and efficient energy storage/conversion systems. The development of the efficient energy systems strongly depends on high performance electrocatalysts. It is generally accepted that the morphology, structure, interface of electrocatalysts significantly affect the catalytic performance. To reduce cost and improve catalytic performance of electrocatalyst, many efforts have been devoted to the controllable preparation of the component, morphology structure and interface. However, great challenges still remains in controllable preparation of high-efficiency electrocatalysts. In this presentation, a series of Pt-based noble metal and transition-metal oxidation/sulfide with controllable component, morphology structure and interface were fabricated, such as flower-like Pt particle, high dispersive Pt nanosheets, Pt nanocubes, flower-like PtNi core-shell structure and the flower-like Pt monolayer@Au structure, as well as polyhedral Co3O4 nanoparticles, mesoporous Co3O4 nanosheets, ultrathin Co3O4 nanofilms, NiCo2S4 nanocrystals, Zn-Co-S hierarchical structure, CoO 0.87 S 0.13, and NiCo2S4 @g-C3 N4 -CNT. The whole synthesis process is free of any organic additives and adhesive and avoids the transfer process of catalytic materials. The obtained electrocatalysts exhibit the excellent catalytic activity for ammonia oxidation, methanol oxidation and ethanol oxidation as well as the superior bifunctional catalytic activity for ORR and OER, respectively. It is expected that the present work will enable us to design electrocatalyst for tunable properties and open the door to new applications in fuel cell and flexible Zn-air battery.

Saldanha Carvalho and Gustavo Doubek1* University of Campinas, Brazil

The growth of wind and solar power sources are expected to rise globally and with the network depending more over them, increases the need to solve the inherent intermittent production issue. An energy storage device with higher capacity than currently Li-ion battery technology would be highly desirable in order to bring down costs for energy storage with better material utilization. Li-O2 or Li-air battery is a promising technology with one-fold increase in energy density compared to commercial Li-Ion. Despite its great theoretical capacity, realizing an effective oxygen electrode in an actual device is still an unsolved problem. In this work we have created a novel porous electrode architecture by growing radially aligned carbon nanotubes on a stainless-steel mesh. Oxygen plasma and acid treatments were employed on the as-growth electrodes in order to improve the electrode/electrolyte interaction which resulted in a device with 20 times more energy density than currently Li-ion batteries in a deep discharge. Raman and FTIR spectrum as well as synchrotron X-ray diffraction showed high amounts of lithium carbonate formation which hindered cyclability in the long run. Scanning electron microscopy also revealed a thick layer of discharge products on top of the cycled samples. However, limiting the charge/discharge cycles have proven to be an effective way to maintain cyclability while keeping high capacity.

Structure and Surface Engineering of Metal-based Materials for Energy Applications

Novel Radially Aligned Carbon Nanotubes for Lithium-Air Battery

Jia Ding


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Gustavo Doubek is an assistant professor in the School of Chemical Engineering at the University of Campinas - Brazil. He received his Ph.D. in nuclear materials from the University of São Paulo and worked as a researcher at Yale University and at 3M company. His current research focus is on the development of Li-O2 batteries, from device engineering to novel electrocatalysts in the Center for Innovation on New Energies - CINE.

Sudhakara Reddy Yenumala, Sunil K. Maity,* and Debaprasad SheeIndian Institute of Technology Hyderabad, India

The present article provides a systematic investigation of hydrodeoxygenation (HDO) of karanja oil over ordered mesoporous nickel-alumina composite catalysts. The catalysts were prepared by one-pot evaporation-induced self-assembly method. The catalysts showed the presence of highly ordered hexagonal mesopores along [001] direction up to 15 wt% nickel loading. The mesoporous structure, however, became disordered beyond 15 wt% nickel loading. The mesoporous nickel-alumina composites catalysts were associated with dispersed tetrahedral (or octahedral) coordinated nickel aluminate with strong metal-support interaction and a negligible amount of extra-framework nickel. The mesoporous nickel-alumina composite catalysts further showed much higher BET surface area and slightly higher metal dispersion and metallic surface area compared to Ni/?-Al2O3 and Ni/mesoporous alumina (prepared by incipient wetness impregnation method). The mesoporous nickel-alumina composite catalysts thus showed higher catalytic activity compared to Ni/?- Al2O3 and Ni/mesoporous alumina. The mesoporous structure had, however, insignificant role in the catalytic activity and product distribution for HDO of karanja oil. The karanja oil was composed of 10.3, 76.7, and 13.0 wt% C 16 , C 18 , and higher fatty acids respectively. The decarbonylation was found to be dominating reaction route with n-heptadecane being the major hydrocarbon product (C 14 -C 22 ). The conversion of oxygenates was increased with increasing initial hydrogen pressure, nickel content in the catalyst, and decreasing the concentration of karanja oil without affecting product distribution much. The conversion of oxygenates was also increased with increasing temperature with the concurrent rise of cracking reaction. The apparent activation energy for HDO of karanja oil was 83.2 kJ mol -1.

Currently Sunil K. Maity is an Associate Professor in the Department of Chemical Engineering, IIT Hyderabad. Before joining IIT Hyderabad in 2010, Dr. Maity served two and half years at NIT Rourkela as an Assistant Professor. He did his Mater and PhD from IIT Kharagpur. His research is primarily focused on the production of transportation fuels and organic chemicals from biomass in an integrated biorefinery concept. Dr. Maity guided three PhD students and published more 27 international journal articles.

Wei An1*, Xiaoyang Liu1, Yixing Wang1, C. Heath Turner2 and Daniel E. Resasco31Shanghai University of Engineering Science, China2University of Alabama, Tuscaloosa, USA3University of Oklahoma, USA

Developing mechanistic insights into the reaction network of hydrodeoxygenation (HDO) of lignin-derived compounds is key to rational design of high-performance catalysts for bio-oils upgrading. Herein, using periodic density functional theory and microkinetic modelling approach, we present a comprehensive theoretical study

Production of Green Diesel from Karanja Oil using Ordered Mesoporous Nickel-Alumina Composite Catalyst

Hydrodeoxygenation of M-Cresol and Guaiacol over Bimetallic Fe-Alloyed (Ni,Pt) Surfaces: Kinetics and Thermodynamics Insight Into Reaction Mechanism


on HDO of m-cresol and guaiacol (model compounds of phenolics) over bimetallic Fe-alloyed (Ni, Pt) surfaces with Ni(111) as a reference. Our results show that the activation of the C-OH bond of m-cresol and phenolic intermediates can be greatly promoted on oxophilic NiFe(111), evidenced by the elongated C-OH bond length and the enhanced dehydroxylation activity with respect to Ni(111). It is found that m-cresol HDO on NiFe(111) shares certain common features with that on Ni(111), but exhibits important differences that result in dramatic changes in selectivity. For guaiacol-HDO, our results show that on NiFe(111), the direct C aryl ?O bond breaking and dehydrogenation are preferred over hydrogenation, while on PtFe(111), hydrogenation/dehydrogenation are preferred over C aryl ?O bond breaking. Catechol is the major product of guaiacol-HDO on both Fe-alloyed surfaces via dehydrogenation of methoxy OCH 3 followed by O-CH 2 bond scission being promoted by oxophilic-Fe alloying. In comparison, the removals of oxo-functional group of guaiacol (i.e., C aryl( ) -OH, C aryl(?) -OCH3 and C aryl(?) O-CH3 bond breakings) on both Fe-alloyed surfaces are more facile energetically than those on monometallic Ni(111) and Pt(111) owing to oxophilic Fe active surface sites. We propose that the C-O bond length of adsorbed intermediates can serve as a good descriptor for predicting C-O bond scission reactivity of the lignin-derived phenolic compounds on metal surfaces depending on C-O bond scission types. Finally, microkinetic modelling augmented by degree of rate control analysis is applied to rationalize the experimentally- observed differences in product distributions over Ni and NiFe catalysts when kinetic factors still dominate.

Wei An has PhD from University of Nebraska-Lincoln, US, and conducted research in computational chemistry at University of Alabama-Tuscaloosa, University of Oklahoma-Norman, and Brookhaven National Laboratory, US. He is currently a full professor in College of Chemistry and Chemical Engineering, SUES. His research interest is computational catalysis for energy conversions focusing on four primary areas: (i) Electrocatalysis (ORR,CO2 RR); (ii) fundamental reactions in catalytic upgrading of bio-oils; (iii) Growth mechanism of nanoparticles; (iv) Metal/oxide interfacial effect on catalytic reactions. He has published > 50 peer-reviewed articles with total citations: > 2200, H-factor: 24.

BASF, Italy

The generation of liquid transportation fuels such as gasoline and diesel to power our vehicles and industrial catalysis are synonymous. Zeolites play an important part in this transformation process, with catalysts being an integral part of the Fluid Catalytic Cracking (FCC) process in a refinery. This process is often the main conversion process in the refinery and serves as the heart of such an industrial complex. The chemistry of the FCC process and thus the zeolite employed dictates the sustainability of this process. In addition to the zeolite(s), the structural support of the catalyst plays as big of a part by imparting diffusion kinetics, non-zeolitic cracking, and hydrogen transfer reactivity. The support and structuring agents, in addition to metal passivators, play an important part in the industrial catalyst's ability to withstand poisons, such as nickel, vanadium, and iron, that enter the FCC unit. The interplay between these elements will be discussed in this presentation, with an emphasis on experimentation and our ability to predict performance of novel FCC materials. The direction of the industry will be discussed in conjunction with new catalyst technology developments and their crucial part in the future of this industrial catalytic process.

Haodong Tang*, Mingming Dang, Yuzhen Li, Lichun Li*, Wenfeng Han, Zongjian Liu, Ying Li and Xiaonian LiZhejiang University of Technology, China

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The Fluid Catalytic Cracking Process: Sustained Innovation in Catalyst Technology

The Influence of Preparation Methods on the Catalytic Performance of MgF2 for the dehydrofluorination of 1,1-Difluoroethane (HFC-152a)

Stefano Riva


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Magnesium fluoride (MgF2) has been widely applied as heterogenous catalysts owing to its unique surface properties which contain Lewis and/or Bronsted acidity. Materials with same elemental constitution may show completely different catalytic properties in terms of both catalytic activity and selectivity for desired products. The surface properties of such materials including surface area, pore structure, crystal size as well as surface defects are the main properties that affect the catalytic performance of catalysts. The essential approach to tackle the problem and acquire the desire surface properties lies in the synthesis of nanostructured materials. Therefore, in this work, there different approaches including sol-gel method, precipitation method as well as hard-template method were applied for the synthesis of MgF2 catalysts. Physical-chemical properties of the MgF 2 catalysts were examined by means of BET, XRD, TPD of NH3. Results showed that different methods have significant influence on the surface properties of the MgF2 catalysts. The surface area is 120, 215 and 304 m2 /g for the precipitation method, sol-gel method and template method, respectively. Among the three preparing methods, the MgF2 catalysts synthesised from sol-gel method has significant more amount of acid than the catalysts prepared from other methods. Catalytic performance was evaluated via the dehydrofluorination of 1,1-difluoroethane (HFC-152a) at 350 o C. the catalytic activity of the three catalyst follow the order of MgF 2 -T (template method), 80% > MgF2 -S (Sol-gel method), 59% ? MgF2 -P (precipitation method). MgF 2 -T catalysts were further examined for the dehydrofluorination of HFC-152a for 600 hours with the conversion rate remains greater than 45%.

Lichun Li is a lecturer at Zhejiang University of Technology. She obtained a PhD degree in Chemistry from The University of Newcastle, Australia. Her main research focus on the investigation of the reaction mechanism of capture and conversion of greenhouse gases since 2010. She has published more than 10 peer reviewed journal articles over the years on international recognised journals including Chemical Engineering Science, ACS Sustainable Chemistry & Engineering, International Journal of Greenhouse Gas Control etc.

1ENSCR 11, France2USTHB, Algeria3Brochier Technologies, France

Aromatic hydrocarbons in crude oil are composed of trace amounts of polycyclic aromatic hydrocarbons (PAHs) such as benzene, toluene, ethylbenzene and xylenes (BTEX). Different treatment technologies are used for BTEX removal, such as biological treatment and advanced oxidation processes (AOPs). Among these AOPs are a cluster of processes that produce high reactive hydroxyl radicals ( o OH) leading to the destruction of harmful organic contaminants present in test matrix. Photocatalysis is one of the popular AOPs for converting organic pollutants into harmless products, like CO2, H2O and mineral acids. In this study, the degradation of naphthalene in water was performed by photocatalysis in two catalysts: UV-irradiated TiO2 deposed on cellulosic tissue and photocatalytic luminous textiles. Photocatalytic luminous textiles were tested in terms of stability in the terms of pollutant removal and mineralization. Indeed, the influence of operating parameters such as concentration, turbidity of the effluent, type of irradiation, nature of photocatalyst, photocatalytic luminous textiles configuration investigated. Results show a complete decomposition of 32 mg/L of naphthalene with photocatalytic luminous textiles after 4 hours. The impact of the turbidity shows that at 100 NTU, a reduction of 30% of the conventional catalyst activity and only reduction of 10% with the photocatalytic luminous textiles. Results show that hydroxyl radical is responsible for the 70% of pollutant oxidation.

New Photocatalytic Luminous Textiles for the Treatment of Wastewater Issued from a Petroleum Activity: Actives Species and Performance Optimization

Amina RABAHI 1,2, Aymen Amine ASSADI 1* , Noureddine NASRALLAH 2, Abdelkrim BOUZAZA1, Rachida MAACHI2, Lina Lamaa3, Laure Peruchon3, Cedric Brochier3 and Dominique WOLBERT1


Biography

ASSADI Aymen (33 years old) is associate professor (A.P.) at the Chemistry Engineer School ENSCR in Rennes, France. He graduated in 2009 in Process Engineering at the engineering school of Gabès (ENIG_Tunisie). He made his PhD at the ENSCR_France from 2009-2012. He joined ENSCR as assistant professor in 2014. His research focuses mainly on processes involving plasma and photocatalysis oxidation of micropollution and / or processes involving a transfer to a solid phase. With an h-index of 15, he published more than 55 A ranking publications, 2 patents. He was responsible for 03 projects of one year or more (PHC, ANR Carnot Tremplin, Profas B+,…). He has two book-chapters and presented numerous communications at international meetings (more than 60). He is associate editor (Springerjournals), guest editor and regular reviewer for many international peer reviewed journals.

TUESDAY, April 09, 2019

DAY2


Photocatalytic Binary Hybrids of Graphene with High Energy Faceted Semiconductor Metal Oxides

Photocatalysis of Volatile Organic Compounds Employing A Redesigned Reactor for Industrial Use

Honey John

Ursula Luana Rochetto Doubek * and Edson Tomaz

Cochin University of Science and Technology, India - 682 022

Recent years have seen with profound utilization of photocatalytic technology for clean energy production and environmental governance. Due to their environmental friendliness, non-toxicity, recyclability, easy processability, chemical stability and cost-effectiveness, semiconductor metal oxides like TiO2 and ZnO have attracted bountiful photocatalytic research focus. However, limited optical response to UV light and faster recombination rate, confines their application. However, graphene can act as a good scavenger for electrons which retards the bulk and surface recombination of photogenerated excitons in semiconductors. A surfactant assisted low-temperature hydrothermal synthesis under varying pH is adopted for the preparation of anatase TiO2 and wurtzite ZnO. TiO2 nanocrystals synthesized at pH3 have ellipsoidal morphologies with larger percentage of exposed high energy {001} and {010}/{100} facets, whereas optimized ZnO nanocrystals with better photocatalytic activity have spindle-shape morphology with curved facets. For the incorporation of graphene in binary hybrids, GO (Graphite oxide synthesized from Graphite powder by modified Hummers' method) is added prior to the addition of metal oxide precursors. GO is insitu reduced to rGO (reduced Graphene Oxide), whereas metal oxides are insitu grown on the graphene sheets during the hydrothermal treatment. A synergism is created by the graphene incorporation on metal oxides. This results in superior photocatalytic activity in the binary hybrids than the pristine TiO2 and ZnO nanocrystals. A detailed investigation on the stronger dye adsorption ability and high electron mobility along with photogenerated charge separation in the binary hybrids is also discussed.

BiographyHoney John joined the Dept. of Polymer Science & Rubber Technology, Cochin University of Science and Technology, Kerala, India, on 1 st Aug 2015. She took the charge of Hon. Director, Inter University Centre for Nanomaterials and Devices (IUCND), CUSAT in 2017. Formerly, she worked as Associate Professor in Indian Institute of Space Science and Technology, (IIST), Department of Space, Govt. of India (2007-2015). Her current areas of research includes tailoring the exposed facets of nano semiconductor metal oxides for excellent photocatalysis and superhydrophilicity; development of CO2 absorbing polymer nanocomposites based on modified clay/graphene nanohybrids, piezoelectric and triboelectric nanogenerators based on nanoconducting polymer hybrids, superparamagnetic nanohybrids for water purification, and natural adhesives from natural oils.

University of Campinas, Brazil

Volatile organic compounds (VOC) are ubiquitous and dangerous air pollutants commonly found in urban areas due to vehicular, industrial and mainly petrochemical chain emissions including fuel stations. They are toxic to human health and responsible for several environmental problems such as photochemical smog and tropospheric ozone formation. Several researches indicate heterogeneous photocatalysis as a promising tecnhnique to degrade VOC, however most of them find barriers to employ it on industrial applications such as catalyst deactivation and high residence times to treat higher flows. In this work a redesigned photoreactor was employed to degrade high volumes of isooctane and toluene, important gasoline compounds. The photoreactor operated in perpendicular flow with five UVC germicidal lamps and used a catalytic coating of TiO2. In the experiments flow, temperature and humidity were controlled in order to find the best conditions to photodegrade the pollutants. Ozone was successfully added to the system to avoid catalytic deactivation, especially when working with toluene, an aromatic compound. The optimized configuration was able to reach elevated VOC conversions (more than 90% of total mineralization) at residence times lower than one minute. As the equipment achieved high level of efficiency combined with fast conversion and no deactivation of the catalyst it is possible to employ it as a pilot reactor in the treatment of industrial streams contaminated with

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VOC. This system offers a simple, robust, efficient and safe solution for sources of small and medium-sized VOC emissions, such as fuel stations and industrial processes with constant VOC currents release.BiographyUrsula Luana Rochetto Doubek is a chemical engineer with master's degree and specialization in environmental engineering at the University of Campinas, Unicamp. Currently she is finishing her Ph.D. also at Unicamp and she is the principal researcher of an innovation project with Fapesp - The São Paulo Research Foundation, in the development of photocatalytic reactors for industrial application. Her main research line includes techniques for controlling air pollutants in urban and industrial environment as well as indoor atmospheres decontamination and the development of engineering equipment and processes for the same purpose.

GlaxoSmithKline Medicines Research Centre, UK

Development of a commercial photochemical reactor system for high-throughput screening, batch and flow scale up that uses pseudo-monochromatic LEDs, used to obtain understanding of photochemical reactions to allow scale up of API. The Wohl?Ziegler benzylic bromination of 4?methyl?3?(trifluoromethyl)benzonitrile with N?bromosuccinimide was used as a model system to verify the photoreactor. It was found that only 40?% of the maximum light intensity was required while still maintaining reaction rate, allowing more reliable temperature control and lower energy consumption. The optimized reaction conditions were subsequently applied to a range of synthetically relevant (hetero)aromatic compounds under continuous conditions, exploring the scope of the process within a mild and scalable procedure. Subsequently a range of other photochemical transformations have been evaluated and will be discussed herein.

Holly E. Bonfield completed her undergraduate degree at the University of York in 2018 following an industrial placement year at GlaxoSmithKline, Stevenage, and have recently started my PhD as part of the GlaxoSmithKline-University of Strathclyde Industrial PhD scheme.

Banaras Hindu University, India

The present work focuses on synthesis of biodiesel from Pseudomonas Cepacia using crude karanja oil, castor oil and a hybrid of the two, by the process of enzymatic transesterification using bio-support material, lipase immobilized on Polyvinyl Alchohol/ Sodium Alginate. Enzymatic transesterification has taken over chemical methods due to its milder nature and environmental friendliness. 2-Proponal has been utilized as the acyl acceptor for biodiesel production. Physicochemical characteristics of the crude oil have been determined to evaluate its suitability for the production of biodiesel. The as-prepared karanja oil exemplified the composition of 9.75% linolenic , 6.24% linoleic acid, 60.25% oleic and 23.76% saturated acyl groups; while castor oil had ricinoleic 78.67%, linoleic 9.62%, oleic 6.65%, stearic 1.53%, palmitic 2.19% and nonanoic acid 0.08% according to proton nuclear magnetic resonance and GC-MS spectrum respectively. The optimised conditions for biodiesel production were 10% immobilsed lipase based upon oil weight, and a molar ratio of 6:1 between alchohol and oil at 50+ 1 o C for 24 h. The maximum product yield and conversion has been determined. Recyclability of the bio-catalyst was studied for 12 cycles using 2-proponal as the acyl acceptor in the absence of

Development of A Commercial Photoreactor System for HTS, Batch and Flow Scale Up Designed for Process Chemists

Biodiesel Production from Non-Edible Feedstock (Karanja, Castor and Hybrid Oil) using Lipase from Pseudomonas Cepacia Immobilised on Polyvinyl Alchohol/ Sodium Alginate Support

Holly E. Bonfield* and Lee J. Edwards

Bhawna Verma and Dilip Kumar

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a solvent under standard conditions. The characteristics of crude oils and biodiesel were analyzed as per ASTM D6751 and they were found to be within the specifications. 1 H NMR analysis has been used to confirm the formation of biodiesel.

Bhawna Verma, Associate Professor in the Department of Chemical Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi. Research Interests include: Heat Transfer in narrow channels, Biodiesel Production, Hydrogen production and Composite Materials for enhanced capacitance.

A.V.Topchiev Institute of Petrochemical Synthesis, RAS (TIPS RAS), Russian Federation

The new original technology of high temperature three-phase Fischer-Tropsch synthesis in TIPS RAS (Russia) was developed. This technology based on original nanosized iron containing catalyst and new reactor type. Developers have been named this type of reactor as "blacking-reactor". The main difference from the world industrial technologies is the ability to produce light liquid hydrocarbon mixtures with high content of ?-olefins. The yield of main products containing 50% wt of olefins is over 140 gram per 1 cubic meter of syngas. This technology is realized in a pilot plant with up to 2 liters of liquid hydrocarbons capacity per day. Project indexes: CO conversion per pass is about 80%, the selectivity of liquid product is 85% with up to 600 g / h kg Me liquid hydrocarbons productivity. The report presents the results of new technology tests on micropilot and pilot plants.

1974 year of birth; 1996 year - graduated from Gubkin Russian State University of Oil and Gas; 2000 year - passed PhD with degree in petrochemistry; 2000 - 2004 years - Assistant professor of faculty of Gas chemistry in Gubkin Russian State University of Oil and Gas; 2004 - 2008 years - associate Professor of Inorganic Chemistry Faculty in Peoples' Friendship University of Russia; 2008 - 2014 years - Senior Researcher of A.V.Topchiev Institute of Petrochemical Synthesis, RAS; from 2014 to the present - Leading Researcher and Head of Catalytic Synthesis Sector of A.V.Topchiev Institute of Petrochemical Synthesis RAS.

1Universidad de Sevilla, SPAIN2Brookhaven Nat. Lab. Upton, USA

Although surface reactions are ubiquitous in chemical processes, their mechanisms are far from being understood. Commonly, the experimental chemist faces too many variables and possibilities to propose and assess a given mechanism, making it almost impossible to go further than a reasonable hint. The knowledge of the reaction sites as well as the involved species bring details that when mixed together with the experimental data allows a deeper view of the elementary steps that usually are related with a surface chemical transformation. Computer simulations based on reliable quantum mechanics methods have been used for long in the study of molecular reactivity though its applicability to surface reactions still challenges methodological aspects in fields as chemistry and physics of solid state. In this work two different scenarios of chemical reactivity are described. The first one concerns the water gas shift reaction, WGS, a key industrial chemical process that allows for obtaining clean hydrogen: CO+H 2 O ? CO 2 +H 2 . This reaction is catalyzed by transition metals (Cu, Pt, Au) that become very active when supported on mixed metal oxides (ceria, titania...). The

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The New Fischer-Tropsch Process over Ultrafine Catalysts

CeOX /TiO2 Nanostructured Interfaces as Highly Active Catalysts

Mayya V. Kulikova

Javier Fdez. Sanz1*, J. J. Plata1, J. Graciani1, E.R. Remesal1 and J. A. Rodriguez2


mechanism involves several steps that can take place at different sites of the catalyst: the metal, the support or the interface. The second reaction is closely related, and aims at carbon dioxide activation and conversion to methanol. Again, coinage metals supported on nanostructured ceria-titania supports are found to be highly active.

J. F. Sanz is a Full Professor of Physical Chemistry and Research Director of the Group of Theoretical Chemistry at the University of Seville. From August 2005 to July 2007 he also was Visiting Professor at the Stanford University, Chemical Engineering Dep., USA. His research interests fall within the Computational Materials Science general topic, and can be broadly described as the development and application of methods and models to simulate materials properties and surface reactions using quantum mechanical theory and statistics. In particular, computational catalysis and energy harvesting and electron transfer processes in solar cells sensitized by dyes (DSSC) and quantum dots (QDSC).

1King Abdulaziz University, Saudi Arabia2National Research Centre, Egypt3Sohag University, Egypt

Mesoporous Fe2O3 -ZrO2 and NiO- ZrO2 nanocomposites with 10 and 20 wt.% of Fe2O3 and NiO composition were synthesized by modified sol-gel method. The physico-chemical characteristics of calcined nanocomposites were evaluated utilizing different techniques such as X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), transmission electron spectroscopy (TEM), N2 -physisorption, H 2 -temperature programmed reduction (H 2 -TPR), Fourier transformed infrared (FTIR) spectroscopy after pyridine adsorption and X-ray photoelectron spectroscopy (XPS). The N2O decomposition activity of calcined nanocomposite catalysts was evaluated in a fixed bed reactor at different reaction temperatures. Bare mesoporous ZrO2 without any reducible oxide exhibited 30 % N2O conversion at reaction temperature of 550 o C. Fe2O3 - ZrO2 nanocomposites with 10 and 20 wt.% Fe2O3 offered enhanced N2O conversion (?80%) and stability for N2O decomposition at 550 o C. Interestingly, NiO- ZrO2 nanocomposite with 10 wt% NiO offered highest N2O conversion (?98%), however NiO- ZrO2nanocomposite with 20 wt% NiO exhibited lowest N2O conversion. The variations in N 2 O decomposition activity of Fe2O3 - ZrO2 and NiO- ZrO2 nanocomposites could be explained via results obtained through the characterization. It was observed that presence of easily reducible metal (Fe/Ni) oxide along with crystalline monoclinic ZrO2 phase is essential to obtain better N2O decomposition. A complete ZrO2 phase transformation to cubic and large NiO particle size were responsible for the poor catalytic activity NiO- ZrO2 nanocomposite with 20 wt% NiO. The durability of Fe2O3 - ZrO2 and NiO- ZrO2 nanocomposites was tested for about 120 hours and the results revealed that the synthesized nanocomposites were robust without losing any catalytic activity.

Katabathini Narasimharao completed his Master of Science in 1996 from Andhra University, Vizag, India and Ph.D. in 2002 from the Indian Institute of Chemical Technology, Hyderabad, India. K.N. Rao was awarded the 2004 Rev Fr Lourdu M Yeddanapalli award of the Catalysis Society of India for best PhD thesis. After Postdoctoral positions in the University of Missouri-Kansas City, USA and The Technical University of Kaiserslautern, Germany, he was awarded RSC, UK visiting fellowship to work at the University of York. He is currently Associate Professor in the Department of Chemistry at King Abdulaziz University, Jeddah. He authored 65 publications in reputed international journals.

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Porous Fe2O3 -ZrO2 and NiO-ZrO2 Nanocomposites for Catalytic N2O Decomposition: Role of ZrO2 Crystal Structure

Katabathini Narasimharao*1, Sulaiman N. Basahel1, Mohamed Mokhtar1,2 and Tarek T. Ali3


Selective Oxidation Using Au-Pd Supported on Nanostructured Titania and Ceria

Carbon Nanotube-Based Biocatalyst for Green Chemistry

Motaz Khawaji*, Yiming Zhang, Ghaya Bani Ibrahim and David Chadwick

Chafik Bourkaib, Alexandre Desforges , Yann Guiavarc'h , Isabelle Chevalot and Brigitte Vigolo*

Imperial College London, UK

Catalytic selective oxidation is capable of producing a large number of valuable chemical intermediates and products from relatively abundant and cheap feedstocks such hydrocarbons and bio-derived oxygenates such as carbohydrates. Interest in this important chemistry is driven by economics and by the need to develop clean, efficient and sustainable processes that are less detrimental to the environment. Gold and gold alloys have been found to be active for a number of reactions including the selective oxidation of carbohydrates, epoxidation of alkenes, and the activation of C-H bonds. However, the catalytic activity of supported gold catalysts is highly dependent on the nature of the support and its physiochemical properties, the metal particle size, and the catalyst preparation method. We have shown that alloyed Au-Pd NPs with particle size less than 5 nm can be prepared by colloidal synthesis and immobilized on nanostructured TiO2 and CeO2 supports to create reproducible, stable, and highly active selective oxidation catalysts using benzyl alcohol as a model reaction. In this work, the performance of these catalysts in the epoxidation of cycloalkenes and the selective oxidation of bio-mass derived monosaccharides have been investigated, and show very promising results. The catalytic activity and product selectivity were found to be strongly dependent on the Au-Pd bimetallic composition, and the structure and morphology of the support. Ceria-supported catalysts were found to be more active and selective in comparison to titania-supported catalysts. The superior catalytic performance of Au-Pd supported on nanostructured ceria appear to be associated with the physiochemical properties of the ceria nanostructured support and the catalyst preparation method, which allowed for controlling the Au-Pd particle size, and facilitated high metal dispersion and exposure over the surface of the support.

Motaz Khawaji obtained his B.Sc. degree in Chemical Engineering from Michigan State University and M.Sc. from the University of Southern California. He is currently a 4th year PhD student in the Department of Chemical Engineering at Imperial College London. Motaz has previously worked as a chemical engineer at SABIC, Saudi Aramco and Black & Veatch. He has co-authored several patents, publications, and conference papers. His recent work on nanostructured gold-supported catalysts for selective oxidation reactions has been featured on the front cover of several catalysis journals.

University of Lorraine, France

Carbon nanomaterials, including carbon nanotubes and graphene, are ideal substrates to enhance interfacial phenomena. They combine lightness, high surface area and good stability. However, their high hydrophobicity and the high surface they exhibit are also responsible for their tendency to aggregate. The resulting processing issue is one of the major roadblocks for elaboration of new materials. Chemical functionalization is a powerful tool to improve interactions of the used carbon nanomaterial and any adsorbate in aqueous solvents, for example. Carbon nanomaterials can then be considered as a platform chemically modifiable to generate any functionality and specific interactions. The first part of this paper will be focused on specific chemical treatments applied to carbon nanotubes. These modified carbon nanotubes have been used as substrate for non-covalent and covalent immobilization of Candida antarctica lipase B (CALB). Their catalytic activity in conventional solvents and in supercritical CO 2 will be presented and their advantages for environmental and green chemistry applications will be discussed.

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Brigitte Vigolo received her Ph.D. in University of Bordeaux, France in 2002. Her doctoral work on carbon nanotube-based nanostructured and macroscopic materials was awarded in 2004. She completed a postdoctoral research fellowship at the Complex Fluids Laboratory (USA) on complex colloids and a second postdoctoral project on CVD synthesis of carbon nanotubes in Strasbourg (France). She is now a CNRS researcher at the Institute Jean Lamour (France). Her research activities are focused in developing chemical processes on carbon nanomaterials (carbon nanotubes and graphenic materials) including selective purification, surface modification and dispersion for the purpose of overcoming processing issues.

1Universidad Autónoma de Madrid, Spain 2Institute of Ceramics and Glass ICV-CSIC, Spain

This work accomplishes the fabrication of three-dimensional structured catalysts using a direct ink writing technique, also known as robocasting. This cost-effective method allows the design of precise structures with metal nanoparticles embedded into ceramic scaffolds, making them particularly attractive for use under harsh reaction conditions (i.e. hot and extreme pHs values in liquid phase reactions). Herein, 3D Fe/SiC monoliths (D~13 mm, H~4.5 mm, 74 squared cells·cm-2) were robocast by architecting aqueous colloidal suspensions of Fe-doped (0.52 wt.%) SiC powder, and used as catalysts in the wet peroxide oxidation of phenol (CWPO). The industrial implementation of this process is actually limited because of the poor durability of the heterogeneous catalysts due to the Fe leaching at the operating conditions of the reaction. The results show that the thermal treatment of the as-printed structures determines both the porosity of the Fe/SiC monoliths, modifying the access of the reactants to the Fe active centres, and also their mechanical integrity, necessarily high for manipulation in flow- reactors. 3D Fe/SiC monoliths treated at 1200 oC into a spark plasma sintering furnace arise as robust catalysts for CWPO processes due to the combination of good catalytic activity, highly- efficient oxidant (H2O2) consumption, long-term stability (upon 350 h on stream) and excellent mechanical strength (3.5 MPa). The hydrodynamic, mass transfer and reaction kinetics were aspects also studied that allowed optimizing the monolith prototype and the catalytic performance. The results of this study point out a new approach for the conformation by Robocasting of metal-based catalysts in suitable morphological 3D-structures for scaling-up reactions and also open new perspectives in the reactor engineering solution for CWPO processes.

Asuncion Quintanilla is associate professor (2008) in the Chemical Engineering Department at the Universidad Autónoma de Madrid (Spain). Prior, she worked as pre-doctoral researcher at the Universidad Complutense de Madrid (2000-2002), assistant professor at the Universidad Autónoma de Madrid (2002-2006) and postdoctoral researcher at Delft University of Technology (2006-2008). Her main research activity is developed in the field of Environmental Engineering, from the catalyst design to the reactor engineering. Application is focused on Advanced Oxidation Technologies with particular emphasis on the development of novel catalysts (supported metal nanoparticles and carbon based catalysts), manufacturing of structured catalysts by 3D- printing technologies, reaction mechanism and kinetics and multiphase reactor modelling.

1 Institute of Problems of Chemical Physics, Russian Federation2M. V. Lomonosov Moscow State University, Russian Federation

Development of Novel Monolith Catalysts by 3D Printing: Application: Application to Liquid-phase Reactions

Interaction of Adenosintriphosphoric Acid and Iron Complex With Cysteamin Ligand - No Donor

Asuncion Quintanilla1*, Jose. A. Casas1, Pilar Miranzo2, M. Isabel Osendi2 and Manuel Belmonte2

?nton L. Bairov 1,2* , ?lena A. Saratovskikh 1 , Viacheslav M. Martynenko 1 , Boris L. Psikha 1 , Natalia A. Sanina 1,2


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Oncological diseases became a huge social problem at the present time. New methods of treatment and diagnostics appeared for its solution. However, chemotherapy, viz., drug therapy, remains to be the first and main method of the treatment. Our studies are aimed at searching for novel drugs. In particular, it is known that NO donors, nitrosyl iron complexes, possess significant oncoprotector properties and exert antimetastasing effects [1-3]. Our earlier works showed the ability of the NO-donating nitrosyl iron complexes to react with adenosine triphosphoric acid (ATP) [4-6] and phosphoenolpyruvic acid [7,8]. The properties established for these complexes are very important, because they suggest that the compounds of this class (NO donors) are capable of inhibiting enzyme pyruvate kinase and thus blocking the glycolysis process in an oncological cell according to the Warburg effect [9]. The purpose of this work is to study the reaction of ATP with the nitrosyl iron complex containing the cysteamin ligand and to determine the structure(s) of the reaction product(s) by spectroscopic methods. The reaction of the nitric oxide donor, viz., sulfur nitrosyl iron complex bearing the cysteamin ligand (CAC), with adenosine triphosphoric acid (ATP) was studied. The formation of the reaction product of CAC with ATP was proved by UV and IR spectroscopy and Elementalanalysis data, and its structure was determined. The ions with the mass number m/z 569 and 491 belonging to the reaction products [Fe-S-P 3 N 5 C 10 H 6 O 12 ] + and [Fe-S-P 2 N 5 C 10 H 7 O 9 ] + was identified in the mass spectrum. The CAC is a potential drug. It is obvious that the fragments of its dissociation after NO donation in the form associated with ATP will be excreted from the body. It can be expected that in vivo, CAC should not exhibit toxic properties.1. Sanina N.A., Kozub G.I., Kondrat'eva T.A., et all. Russ. Chem. Bull. 2017. N 9. ?.1706-1711. URL: https://elibrary.ru/item.asp?id=302905862. Zhukova O.S., Smirnova Z.S., Chikileva I.O., Kiselevskii M.V. Bulletin of Experimental Biology and Medicine. 2017. V. 162. N 4. P. 583-588. DOI: 10.1007/s10517-017-3663-8.3. Aldoshin S.M., Sanina N.A., Davydov M.I., Chazov E.I. Herald Russ. Acad. Sci. 2016. V. 86. N 6. P. 495-500. DOI: 10.7868/S0869587316060086.4. Saratovskikh E.A., Psikha B. L., Sanina N.A. Russ. Chem. Bull. 2011. V. 60, N 6 , P. 1177-1180. DOI.org/10.1007/s11172-011-0185-9 5. Psikha B.L., Saratovskikh E.A., Sanina N.A. Russ. Chem. Bull. 2012. V. 61, N 9, P. 1810-1815. DOI.org/10.1007/s11172-012-0249-56. Saratovskikh E.A., Psikha B.L., Sanina N.A. Natural Science. 2013. V. 5. N 7. P. 800-810. DOI:10.4236/ns.2013.570977. Zanina A.A., Saratovskikh E.A., Psikha B.L., Sanina N.A. Russ. J. Biotherapy. 2016. V. 15. N 1. P.41. URL: http://elibrary.ru/download/50473306.pdf8. Zanina A.A., Saratovskikh E.A., Martynenko V.M., Psikha B.L., Sanina N.A. Russ. Chem. Bull. 2017. V. 66. N. 5. P. 927-931. DOI.org/10.1007/s11172-017-1832-69. Warburg H.O. On the origin of cancer cells. Science. 1956. V. 123. N 3191. ?. 309-314. DOI: 10.1126/science.123.3191.309

Bairov Anton Lutaevich was born on October 22, 1993 in the city of Barnaul, Altai Territory of the Russian Federation. He graduated from high school in 2012. In grades 9-11 he studied at the Specialized Educational and Scientific Center of Novosibirsk University (SSC of NSU, MA Lavrentiev Physics and Mathematics School at NSU). After that, he entered the Moscow State University named M. V. Lomonosov at the Faculty of Fundamental Physicochemical Engineering. The Diploma completed work Bairov A.L. performed at the Institute of Problems of Chemical Physics, Russian Academy of Sciences in the Laboratory of Kinetic modeling. Theme of thesis: "Investigation of the kinetics and mechanism of the interaction of cationic sulfur-nitrosyl iron complexes - NO donors, with adenosine triphosphoric acid". The head of the thesis - doctor of biological sciences, Leading Researcher of IPCP RAS Saratovskikh E.A.

Chemically Modified Carbon Felt as A Productive Cathode in Photoelectro-Fenton for Organic Pollutant Mineralization

Devendra Rai* and Shishir Sinha


Indian Institute of Technology Roorkee, India

A nearly complete mineralization of organic contaminants present in real tannery waste water was studied. Degradation of aqueous solution containing between 1750 - 1900 mgL -1 of total organic carbon (TOC) has been carried out using solar driven photoelectron- Fenton (SPEF) process in a lab scale system consisting of borosilicate glass reactor containing a DSA anode and a chemically modified air diffusion carbon felt (CF) cathode assembly, integrated with a solar assisted photoreactor for treatment of 5L of wastewater during 300 minute of electrolysis. The electrolysis is carried between a wide range of pH from 3.0 - 8.0. The CF cathode was modified using low cost chemical reagents, ethanol and hydrazine hydrate. Comparative study of unmodified and modified CF cathode was performed. The characterization of cathode was conducted using field emission scanning electron microscope (FE-SEM), X- Ray powered diffraction (XRD), Contact Angle, Raman Spectroscopy, X-Ray photoelectron spectroscopy (XPS) and BET surface analysis. Nitrogen and oxygen containing compounds with few amount of nanoparticles has been observed over the surface of cathode, which leads to improved water- surface adsorption properties, as well as enhanced electrocatalytic activity for oxygen reduction reaction (ORR). The results suggests about two times enhancement in hydrogen peroxide accumulation and reaching 90% of organic contaminants removal in 300 minutes.

Keywords: Wastewater, Tannery, SPEF, Modified Graphite Felt, Oxygen reduction reaction, Organic contaminants

Devendra Rai is a PhD research scholar at department of chemical engineering IIT Roorkee, Roorkee, India. His research area is treatment of industrial wastewater by using electrochemical techniques. He did M.Tech from department of chemical engineering, Maulana Azad National Institute of Technology, Bhopal, India. There he had worked on an Industrial project with Yohana Paints, India, on Development of Camouflage Paint for Military Application. His research interests are related to projects which aim to enhance the understanding of environmental processes related to the protection/ improvement of air, water, and land resources; to develop new technology for reduced environmental impact; and to develop energy transition strategies.

SRM Research Institute, India

Polypyrrole(Ppy) is synthesized by wet chemical method employing FeCl3 and Ammonium per disulphate(APS)as oxidants. Electrochemical analysis of Ppy in 0.01M H2 SO4 indicated good hydrogen storage ability and evolution kinetics. Hydrogen Evolution rate on Ppy synthesized using APS is 1.17 times higher than Ppy employing FeCl3. The maximum charge stored as protons in the Ppy synthesized using APS and FeCl3 as oxidants are 1.72kF/g and 1.25kF/g respectively. 1 HNMR and XPS analysis paved way to understand the proton diffusion, storage and evolution mechanism on Ppy. Keywords: Polypyrrole; 1 H-NMR; XPS; Hydrogen Storage; Hydrogen Evolution.

S.Padmapriya, Senior Research Fellow at SRM Research Institute, SRM Institute of Science and Technology, Tamilnadu, India. She obtained DST INSPIRE Fellow (June 2016-2021) as my Ph.D grant from Development of science and Technology, India. She hold excellent academic records and received gold medal for University First Rank during my Masters in Physical Chemistry from University of Madras (2015). Her research interests include

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Insights on the Electrocatalytic and Hydrogen Storage Kinetics of Polypyrrole Synthesized using Different Oxidants

S. Padmapriya*, V.Sudha and S. Harinipriya


Conducting Polymers which is applied in hydrogen storage and evolution as electrocatalyst. She have published three of my research papers in International Journal of Hydrogen energy and International Journal of Energy Research.

1Khalifa University of Science and Technology, Abu Dhabi, United Arab Emirates2Rey Juan Carlos University, Spain

Ethylenediaminetetraacetic acid (EDTA) is found in many types of household and personal- care products such as disinfectants and cosmetics. It is also used in nuclear power plants (NPP) to help remove nuclear waste contaminations in the facilities. Consequently, it is often detected as contaminant in domestic wastewater (DWW) and liquid nuclear waste (LNW). Unfortunately, the existence of EDTA in DWW and LNW was proven to have an adverse impact on the conventional wastewater treatment efficiency. Hence, including an effective non-conventional treatment step is highly important as concerns environmental protection. Heterogeneous photocatalysis, enabling a complete mineralization of the compounds by using a semiconductor together with light radiation at the appropriate wavelength (typically in UV-A and visible range), without adding any other onerous chemical, is a promising alternative in wastewater treatment. In this work, photocatalytic degradation of EDTA over commercial TiO 2 (Evonik P25) has been investigated by using an irradiated environmental chamber with real-time Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and Mass Spectroscopy (MS) analysis. The degradation mechanism has been studied by varying different parameters such as: carrier gas, relative humidity, irradiation source and the concentration of EDTA adsorbed on TiO 2 . Results showed a minimal degradation of EDTA under anaerobic conditions with production of ammonia and small organic molecules (e.g. acetaldehyde). On the contrary, EDTA photooxidation took place under aerobic conditions with carbon dioxide and water as main products. It is important to note that EDTA forms a visible absorbing complex with P25 which allowed photodegradation of the EDTA under pure visible light (wavelength > 410 nm).

Giovanni Palmisano is an Associate Professor at Khalifa University (Masdar Campus), recipient of 2015 and 2017 Award for Research Excellence assigned by the Abu Dhabi Education Council. His research activities are mainly focused on photocatalysis applied to energy, environment, materials functionalization, and organic chemistry. He is co-author of ca. 100 highly cited journal papers, seven patents, six books and six book chapters. He is in some international editorial boards and he has guest-edited special issues of international journals. He has been main advisor of ten graduate students, one of whom won the outstanding thesis award in Masdar Institute.

University of Torino, Italy

Our laboratory works with different classes of monoxygenases, respectively containing heme and flavin isolated, cloned from various organisms and engineered either by rational design or directed evolution. Here their properties and biotechnological applications will be illustrated, ranging from their in vitro hydrogen-peroxide driven-catalysis, to electrochemical or in vivo whole cells synthesis of drug intermediates and metabolites. Firstly, bacterial P450s with high resistance to hydrogen peroxide are good candidates for

In Situ DRIFT-MS Study of EDTA Photocatalytic Degradation

Exploitation of Engineered Monoxygenases for Biocatalysis In vitro and In vivo

Reem Al Sakkaf1, Maria Jose López-Muñoz 2, Thomas Delclos 1, Gabriele Scandura1 and Giovanni Palmisano 1*

Gianfranco Gilardi

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inexpensive peroxide-driven catalysis. Their activity on different substrates sharing an aromatic scaffold, makes these enzymes interesting candidates for applications in bioremediation and human drug metabolite production. Directed evolution of these enzymes allows to widen their range of catalytic properties. Secondly, the human flavin-containing monooxygenases 3, an important phase-1 liver drug metabolizing enzyme, is reported. It catalyzes the oxygenation of a variety of soft nucleophilic molecules possessing highly polarizable electron lone pairs on their heteroatoms, such as those present in many drugs and fine chemicals. Data on catalysis by direct electrochemistry on glassy carbon as well as gold electrode are shown, highlighting the different activities present in different human groups with important personalized medicine implications. In particular, a hFMO3-bioelectrode platform was obtained in a nanoscaled system, based on graphene oxide on glassy carbon electrodes. This same enzyme was also expressed in a whole cell format, for the production of the N-oxide metabolites of various drugs and fine chemicals.

Gianfranco Gilardi gained his PhD in Biotechnology from Imperial College London working on a project on enzymatic biomass conversion. After a post-doctoral fellowship at the Chemistry department of Leiden University (NL) working on metalloprotein engineering, he returned to Imperial College (UK) with a tenure position supervising a group working on redox protein engineering for biocatalysis and biosensors. He then moved ad Professor of Biochemistry at the University of Torino where he set up an international group of several faculty members working on various facets of biotechnology, biocatalysis, metabolic and protein engineering.Research interest: Redox enzymes, Cytochromes P450, Protein Engineering, Biocatalysis, Bioremediation, Biotechnology, Drug metabolism, Personalised medicine, Bioelectrochemistry, Biosensors.

1National Institute of Chemistry, Slovenia2University of Nova Gorica, Slovenia3University of Ljubljana, Slovenia

Organic compounds and volatile organic compounds (VOC) are the main class of pollutants emitted from various industrial processes, transport and consumer products. Photocatalysis is one of the most efficient advanced oxidation processes (AOP) for removal of organic pollutants from indor-air or wastewater. Titanium dioxide (TiO 2 ) is the most used semiconductor for photocatalytic removal of organic pollutants due to its interesting characteristics: low cost, safe, high stability, shows high photocatalytic activity, it can promote ambient temperature oxidation of the major class of organic pollutants. A common approach to enhance the photocatalytic activity of TiO 2 is also to increase its surface area (100-200 m 2 g -1 to 400-1000 m 2 g -1 ) and to introduce the mixed oxide synergetic effect. This can be achieved by immobilization of TiO 2 on the porous supports such is porous silica and the preparation of such a catalyst in the form of film using appropriate carrier. Porous silica is superior support for accommodating photocatalysts nanoparticles because they are chemically inert, possess high surface areas, are transparent to UV radiation, have great physical stability, and have hydrophobic character. Here, an overview on the design and development of (1) silica supported TiO 2 in the form of coatings for removal of volatile organic pollutants from indoor-air under UV light and (2) transition metal functionalized silica supported TiO 2 in the form of coatings for removal of organic pollutants from wastewater under visible light will be presented and benefits and drawbacks will be outlined.

NATAŠA NOVAK TUŠAR, currently group leader for catalysis - design and development of porous catalysts for environmental and energy technologies - at Department for Inorganic Chemistry and Technology at the National Institute of Chemistry in Ljubljana and full professor and director of doctoral programme Materials at Graduate school at University of Nova Gorica in Slovenia, twenty years of experience in research, working on world-wide basis in different environments - industry, research institute, university, Member of Management

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Titania Nanostructures Designed for Photocatalytic Air and Water Cleaning

Natasa Novak Tusar 1,2 *, Andraž Šuligoj 1,3 , Urška Lavren?i? Štangar3


Committees: European Nanoporous Materials Institute of Excellence (ENMIX), European Federation of Catalysis Societies (EFCATS)

1 IET Lucknow, India2 MNNIT Allahabad, India

Methane is the major hydrocarbon feed stock for fourth generation sustainable energy source. It is constituent of biogas and it is also available in huge amount at very low cost. Methane was easily separated from biogas by using alkali (40% diluted solution of potassium hydroxide) or through wet scrubbing by using water. Fuel and chemicals may be derived from this way. Its conversion can solve dual problems because it can be converted in valuable chemicals like methanol, formaldehyde, olefins and aromatic compounds through catalyst bed. The traditional method of conversion of this methane in other valuable chemicals was based on the catalyst, having oxygen insertion properties like metal oxide catalysts like MoO3 /SiO2 and V2O5 /SiO2 catalysts. In this paper, we are reporting the conversion at atmospheric pressure but an elevated temperature. Among the various catalysts that were studied for methane conversion, vanadium based catalyst favours the maximum conversion. Liquid fuels and chemicals may also be derived ecofriendly, biologically from this methane by using enzymes. We have tried to rediscover the insights of this conversion, either chemically or biologically (enzymatically). Such a way we have tried to search the pathway to get highly specific and selective catalysts, which can efficiently derive this methane in to highly value added chemicals. On the other hand, its consumption may reduce global warming also. The purification and compression of this biomethane (CNG) is also contributing towards sustainable management of energy crisis. Keywords: Biomethane, metal oxide catalyst, enzyme, liquid fuels, CNG

Dhananjay Singh is an Associate Professor, Department of Chemical Engineering, Institute of Engineering & Technology, Lucknow-226021, INDIA. He is also an active member of IIChE-Lucknow regional centre and serving as honorary secretary. Dr. Singh did his B.Tech. Chemical Engineering from HBTI Kanpur, in the year 2000, M.Tech. Chemical Engineering from IIT Roorkee in the year 2002 and PhD in Chemical Engineering from IIT Delhi. He is working in the area of Renewable energy, Bioenergy, Green Engineering Applications in Pharmaceutical. Dr. Singh has 16 years teaching and research experience and more than 20 research publications in reputed journals.

Indian Institute of Technology Roorkee, India

Environmental challenges and sustainability has given the drive to researchers and academicians to look for newer environmental friendly alternate materials having potential to replace completely or partially the existing one. Natural fibers are one such option that can solve the issues arising from synthetic fibers like non biodegradability, causing threat to ecological balance. Natural fibers are not only environment friendly but also having specific advantages like light weight, easily available, low cost that is why the research on their reinforcement in polymer composites as an alternate of synthetic fibers has been given considerable emphasis in the last decade. The compatibility between these hydrophilic lignocellulosic fibers and hydrophobic polymer matrix is one issue which can degrade the mechanical and thermal properties of the prepared composites.

Catalytic Conversion of Biomethane to Liquid Fuels and Useful Chemicals

Effect of Surface Treatment on Thermal Degradation Kinetics and Activation Energy of Bamboo Fiber: Application in Polymer Composites

Dhananjay Singh1* , Pradeep Kumar1 and Siraj Alam2

G.L.Devnani* and Shishir Sinha

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Considerable work has been done on mechanical and morphological properties of these fibers but comparatively less papers are available on the thermal degradation behaviour, Kinetics and activation energy of these natural fibers. In the present study the thermal degradation behaviour and activation energy of bamboo fiber which is abundantly available in India is studied with the help of thermogravimetric analysis and the activation energy has been calculated with the help of Kissinger-Akahira-Sunose (KAS) method, Flynn-Wall-Ozawa method, and Friedman method. The bamboo fiber is treated chemically with Alkali(NaOH), Acetic anhydride and Silane and the effect on thermal degradation behaviour, activation energy and thermal kinetics has been analyzed . A considerable improvement in thermal degradation behaviour and activation energy has been observed.

G.L.Devnani is a research scholar working in the field of natural fiber reinforced polymer composites in Chemical Engineering Department IIT Roorkee, India. Recently he has published two papers on thermal degrading kinetics of natural fiber and water diffusion modeling of natural fiber reinforced polymer composites entitled " African Teff Straw as a Potential Reinforcement in Polymer Composites for Light-Weight Applications: Mechanical, Thermal, Physical, and Chemical Characterization before and after Alkali Treatment" in Journal of natural fibers with doi https://doi.org/10.1080/15440478.2018.1546640 and "Mathematical modelling of water absorption behavior of bagasse fiber reinforced epoxy composite material & quot; in Materials Today: Proceedings,Volume 5, Issue 9, Part 1,2018.

1National Research Tomsk Polytechnic University, Russia2Abo Akademi University, Finland; 3Lisbon University, Portugal

Betulin, and especially its oxo-derivatives (betulone, betulinic and betulonic aldehydes, betulinic and betulonic acids) have valuable biologically active properties, for example, exhibit a multitude of pharmacological properties ranging from antitumor, antiinflammatory, antiparasitic, anti-HIV activities, etc. and are of exceptional interest for the pharmaceutical, cosmetic and food industries. The current work is the first study concerning the liquid-phase oxidation of betulin using modified and unmodified Au/TiO2 catalysts under mild conditions, similar to the requirements of "green chemistry" (P=1 atm., T=140 °C, synthetic air as oxidant, without the use of alkali). Samples were characterized by several techniques. Catalytic activity of nanogold catalysts supported on titania for betulin selective oxidation can be enhanced by modification of the support with La or Ce oxides. The main reason for the good performance of Au/M xOy/TiO2 catalysts is the changes on the electronic state of the supported Au, and especially changes in the surface concentration of Au + ions. Monovalent Au + ions are active sites in gold-containing catalysts for betulin oxidation. The obtained results show the potential of gold-containing catalysts for liquid phase oxidation of betulin. By selecting the optimum modifier, the catalytic properties and stabilization of the active sites can be optimized. Conversion of betulin using the Au/La2O3 /TiO2 catalyst reached 69%, after 6 hours, with the selectivity towards betulone around 41% and 32% of betulonic aldehyde.

Ekaterina Pakrieva is Ph.D. student from Tomsk Polytechic University, where she is carrying out her research studies in the scientific group, headed by Prof. Alexej N. Pestryakov. Research area of this group is concluding in the development and study of catalytic systems based on gold and silver nanoparticles for the neutralization of toxic emissions and selective liquid-phase oxidation of biomass products. Ekaterina was awarded twice by Scholarship of the President of the Russian Federation for training abroad of Ph.D. students: in Institute of Catalysis and Petrochemistry (Madrid, Spain) in 2017, in Instituto Superior Techico, Lisbon University (Lisbon, Portugal) in 2018.

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Green Catalytic Oxidation of Betulin for Producing its Valuable Oxo-Derivatives

E. Kolobova1, E. Pakrieva1*, J. Hemming2, P. Mäki-Arvela 2, D. Yu. Murzin2, S.A.C. Carabineiro3 and A. Pestryakov1


Kinetics of Thermal Degradation Applied to Bioplastics with Natural Fibers by Non-Isothermal Processes

Jyoti Jain *, Shishir Sinha and Shorab JainIndian Institute of Technology Roorkee, India

Cellulosic fibers were given surface treatment for the improvement of its competency towards polymer matrix. Thermal decomposition of bioplastics with lingo-cellulosic fibers were analysed/investigated by TGA/DTG data obtained under nitrogen atmosphere by varying heating rates. Activation energies were calculated by applying non-isothermal methods on TGA data of bio-composites blended with different proportion of cellulosic fibers. Activation energy was found to be maximum when treated with alkali. Different composite samples were also studied for its specific properties through X-ray diffraction and its morphology using scanning electron microscope and compared with available literature. Results confirmed the stability and compatibility of cellulosic fiber towards polymer matrix after the surface treatment optimised at 7% concentration of sodium hydroxide.

Keywords-Bioplastics, composite, natural fiber, thermal degradation.

Jyoti Jain has done her B.Tech in Food Technology and M.Tech in Chemical Engineering. Now she is doing her research in the area of Polymer Composites. She has published many research papers in various international journals and also in reputed international and national conferences. Jyoti has her expertise in Chemical Engineering. She has also one year teaching experience in Jaipur National University, Jaipur.

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TUESDAY, April 09, 2019

DAY2


Remediation of Cr(VI) and DDVP Co-contaminated Wastewater using Sequential Adsorption and CWAO over Cu-Fe-Carbon Nanofiberous Beads

The Orchestrating Role of The Active-Deactivating Species Dynamics on Zeolites and Zeotypes During Dimethyl Ether and Methanol-to-Olefin Processes

Arun Kumar and Nishith Verma*

José Valecillos, Tomás Cordero-Lanzac, Andres T. Aguayo, Javier Bilbao and Pedro Castaño*

Indian Institute of Technology Kanpur, India

Co-contamination of toxic metals and organic pollutants has been reported in several water reservoirs worldwide. The present study proposes a hybrid method combining adsorption and catalytic wet air oxidation (CWAO) to remediate wastewater co-contaminated with Cr(VI) and the dichlorvos (DDVP) pesticide, using bimetal Cu-Fe doped carbon nanofiberous (CNF) micron sized (~1 cm) beads. Briefly, phenolic beads will be synthesized by suspension polymerization. The beads will be doped with the bimetals during a polymerization step. Post carbonization and activation of the phenolic beads, the CNFs will be grown over the prepared porous metal-doped carbon beads using chemical vapour deposition. Adsorption of Cr(VI) and CWAO of DDVP will be sequentially performed. Mechanistically, adsorption of Cr(VI) over the beads will take place through the combination of both, physi- and chemisorption. Physisorption will be facilitated by the large surface area of the material, whereas the Fe nanoparticles of the bimetallic Cu-Fe-CNF beads will induce the partial reduction of Cr(VI) into the less toxic Cr(III). The latter ions will be adsorbed by the negatively charged electron clouds of the CNFs. The negatively charged aqueous HCrO 4 - will be adsorbed by the protonated FeOH 2+ . Degradation or mineralization of DDVP will synergistically occur via direct oxidation by the oxidizing Cr(VI) adsorbed on the beads and indirect oxidation by the Cu-generated OH radicals in the aqueous phase. Physico-chemical surface characterization and adsorption-oxidation data will be presented.

Nishith Verma is a professor of chemical engineering at Indian Institute of Technology Kanpur (India). Pro. Verma holds a B. Tech degree from IIT Kharagpur (India) and Ph.D. degree from the University of Arizona (USA), both in chemical engineering. His research interests are adsorption, environmental pollution control, synthesis and application of carbon nanofibres and nanoparticles, lattice Boltzmann modelling. Prof. Verma has more than 100 journal publications and 9 patents. Arun Kumar is pursuing Ph.D. degree in the department of chemical engineering at IIT Kanpur (India).

University of the Basque Country Spain

The transformation of dimethyl ether (DME) and methanol into light olefins is at the forefront of research interest due to its outstanding implementation perspectives [1,2] . The intensive literature in the field indicates the key role of the control of the active species (olefins and methylated benzenes adsorbed on the acid sites) [3] for tuning activity and selectivity. Despite the extensive literature, the degradation kinetics of the active spices into deactivating ones is relatively unknown, which is directly linked with the catalyst lifetime and the process viability [4] . In this work, we have studied the dynamics of retained species on different ZSM-5 zeolite and SAPO-18 or -34 zeotype catalysts through a combination of ab-initio calculations, experimental results (fixed-bed, FTIR and UV-vis-NIR operando reactors) and thorough modeling. In particular, we have studied the effect of the presence of water in the reaction medium, methanol or DME as feedstock, micropore topology, presence of binder or catalyst modification among others. Our results provide a greater scope to the role of the degradation dynamics on the overall industrial implementation, catalyst selection or the rational reactor design.[1] P. Tian et al., ACS Catal. 5 (2015) 1922-1938.[2] I. Yarulina et al., Nat. Catal. 1 (2018) 398-411.[3] U. Olsbye et al., Angew. Chemie Int. Ed. 51 (2012) 5810-5831.[4] U. Olsbye et l., Chem. Soc. Rev. 44 (2015) 7155-7176.

Pedro Castaño received his MSc and PhD degrees in Chemical Engineering from the University of the Basque Country (UPV/

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EHU) in 2002 and 2006, respectively. He was hired as postdoc in TU Delft, working on multiphase microreactors. After some voluntary work, he was hired as a Ramon y Cajal fellow (2009) and Associate Professor (2013) at the UPV/EHU. He has also worked in MIT, UWO, ICP-CSIC and UU. His research interests as principal investigator are in thermo-chemical-electrochemical waste processing, heterogeneous catalysis engineering and deactivation, surface spectroscopy and multiscale modelling. More information can be found at http://www.ehu.eus/pedro.castano

1Universidade de Lisboa, Portugal2 Instituto Politécnico de Lisboa, Portugal

Adipic acid is a relevant commodity chemical produced worldwide (over 3.5 million of metric tons per year, growing ca. 5% per year), being primarily used is as a precursor for the synthesis of nylon-6,6 polyamide although also widely used to produce polyester and polyurethane resins. Currently, adipic acid is industrially obtained via a two-step process: (i) oxidation of cyclohexane to KA oil (a mixture of cyclohexanol and cyclohexanone), and (ii) oxidation of KA oil with an excess of nitric acid leading to an extensive liberation of the greenhouse gas N2O (300 kg of N2O per ton of adipic acid). With the aim of developing a more efficient and ecofriendly process for the synthesis of the industrially most important dicarboxylic acid, herein we report, for the first time, a magnetic C- scorpionate catalyst, prepared from the iron(II) complex [FeCl 2 {? 3 -HC(pz) 3 }] (pz = pyrazol-1-yl) and ferrite, using the sustainable mechanochemical synthetic procedure. Its catalytic activity for the cyclohexane oxidation with tert-butyl hydroperoxide (TBHP) was evaluated in different conditions, namely under microwave irradiation and under the effect of an external magnetic field. The use of such magnetic conditions significantly shifted the catalyst alcohol/ketone selectivity, thus revealing a promising, easy new protocol for tuning selectivity in important catalytic processes. Comparison with the industrial process will be performed and discussed its effect in the final production cost. Funding from FCT (Fundação para a Ciência e a Tecnologia, Portugal) (UID/QUI/00100/2013, PTDC/QEQ-ERQ/1648/2014 and AAC/02/SAICT/29778/2017 projects) are acknowledged.

Luísa Margarida Martins is a Chemical Engineer with Habilitation in Chemistry from Instituto Superior Técnico, Universidade de Lisboa, where she is Associate Professor. Luísa's research focuses on applying green chemistry and engineering principles in the innovative design of products and sustainable processes. (over 130 peer-reviewed papers (h index = 31 e i10-index= 62), 13 patents (PT and WO), 5 invited book chapters, 320 conference presentations). In 2017 Luísa has been awarded the Scientific Excellence Prize IPL-CGD for the Areas of Technology and Engineering in recognition of her scientific productivity and impact. She is FRSC and President of Portuguese Electrochemical Society.

aUniversity of Cape Town, South Africab SynCat@DIFFER, The Netherlands

Fischer-Tropsch (FT) synthesis is defined as a polymerization reaction of synthesis gas (i.e. hydrogen and carbon monoxide) to produce hydrocarbons (major products) aromatics and oxygenates (minor products). Due to the importance of FT synthesis, vast amount of research is focused on the influence of reaction conditions and reactor types on the selectivity of mainly the major products. However, minor products selectivity studies are lacking behind mainly due to the complex FT synthesis product spectrum and lack of appropriate analytical tool, however, with the development of 2-diemntionals gas chromatography, the analysis of the minor products is feasible [1]. The detailed analysis of the minor products can enhance the mechanistic understanding and economical value of FT synthesis. Substituted Ferrites have been used as a model catalyst to understand the effect of promoters and the effect of the crystal structure in FT synthesis [2]. Ferrite and substituted ferrite catalysts (Co 0.2 Fe 0.8 Fe 2 O 4 , Ni 0.2 Fe 0.8 Fe 2 O 4 and Ni 0.2 Co 0.2 Fe 0.6 Fe 2 O 4 ) were prepared by co-precipitation method, reported in literature [3]. All substituted ferrites were characterized by H 2 in situ

New Trendy Magnetic C-Scorpionate Iron Catalysts for Sustainable Adipic Acid Production

Influence of Substituent in Ferrite Structure for Oxygenates formation In Fischer-Tropsch; 1D and 2D Gc Study

Luísa M. D. R. S. Martins1*, Ana P.C. Ribeiro 1, Inês A. S. Matias1, Elisabete C.B.A. Alegria, 1,2 Ana M. Ferraria1, Ana M. Botelho do Rego1 and Armando J.L. Pombeiro1

Mohamed I. Fadlallaa, Hans J. W. Niemantsverdrietb, Nico Fischera and Michael Claeysa

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XRD, BET-surface area measurements and ICP-OES. The influence of the different substituents in the ferrite structure in the activity and selectivity (mainly oxygenates) in FT synthesis, were studied in fix bed reactor at 280 ?C, 20 bar and H 2 /CO 2. The 1D GC-FID analysis results showed the highest conversion of CO and selectivity to oxygenates were obtained with Ni containing ferrites. The 2D GC analysis was also used to qualitatively and quantitatively analyse the product spectrum with focus on the minor products.

Reference

[1] van der Westhuizen, R, Crous, R, de Villiers, A and Sandra, P. Journal of Chromatography A, 2010, 1217, 8334-8339.[2] Chonco, Z. H, Lodya, L, Claeys, M, van Steen, E. Journal of Catalysis, 2013, 308,363-373.[3] Arulmurugan, R,Vaidyanathan, G, Sendhilnathan, S, Jeyadevan, B, Journal of Magnetism and Magnetic Materials 2006, 298, 83-94.

Mohamed Fadlalla obtained his MSc and PhD from the University of KwaZulu-Natal in South Africa, under the supervision of Professor Holger Friedrich. He had worked on the heterogenization of the aminohydroxylation reaction and oxidative dehydrogenation of octane, respectively. Currently, he is a second-year postdoctoral fellowship researcher at the Institute of Catalysis Research, University of Cape Town, South Africa. The Institute is hosted by Professor Michael Claeys, focusing on detailed analysis of Fischer-Tropsch product spectrum via 2D gas chromatography and the investigation of different promoters for oxygenates formation, in generally middle temperature Fischer-Trospch synthesis.

* Maulana Azad National Institute of Technology, India

Synthesis and characterization of modified zirconia catalyst for isomerization of pinane was studied and reaction is carried out in tubular reactor in the temperature range of 573-723 K, with the objective of maximizing the yield of dihydromyrcene (DHM). This is an important intermediate in the manufacture of flavors and perfumes. DHM is the main product beside DHM; six other major products were formed. The yield of DHM increased with temperature and a maximum yield of 69.6 wt % feed was obtained at 1.03 T E /T ref and 96.3% conversion of pinane. Thus, this study has more emphasized on catalytic effect. A reaction model has been proposed for isomerization of pinane. Using the nonlinear regression analysis the isomerization of pinane and reaction of DHM into secondary products were determined to follow first order kinetics. The activation energies of pinane isomerization and conversion of DHM into secondary products were determined to be 61.90 and 40.500 Kcal/gmol respectively. The catalyst was well characterized by ESEM, XRD, TEM, BET surface area and found to be thermally and chemically stable at higher temperatures. Keywords: Pinane, Dihydromyrcene(DHM), Isomerization, Synthesis and Characterization of ZrO2 catalyst.

Sunder Lal Pal, Assistant Professor, Department of Chemical Engineering MANIT Bhopal Education: PhD (Indian Institute of Technology Kanpur, India)Working: Assistant Professor from May 25, 2010 to till date at Department of Chemical Engineering MANIT Bhopal. He is dealing with Current Research Project: Title "Technology Development for VIS-IR Military Green Camouflage Paint". He has 15 Publications.

Huazhong University of Science and Technology, China

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Synthesis and Characterization of Modified Zirconia Catalyst of Isomerization of Pinane

Chemical Deactivation of Cu-SAPO-18 deNOx Catalyst Caused by Basic Inorganic Contaminants in Diesel Exhaust

Debye-Einstein Models for Heat Capacities of Crystalline Solids

Sunder Lal Pal * and Jeetram Yogi

Shujun Ming

Ernst Gamsjager 1 and Manfred Wiessner 2


1Montanunversität Leoben, Austria2 Anton Paar Gmbh Graz, Austria

Low temperature experimental data of the heat capacities of carbonates, molybdates and hollandites are assessed by means of semi-empirical models. Previous studies frequently present fit functions with a large amount of coefficients resulting in almost perfect agreement with experimental data. It is, however, demonstrated in this work by both local and global minimization tools that special care is required to avoid overfitting. It is shown that describing the heat capacities by a simple Debye-Einstein integral fit is advantageous compared to more sophisticated fitting approaches where the fit coefficients lose their physical meaning and might be strongly correlated with each other. In case that experimental data below 50K are lacking heat capacities can be extrapolated reasonably well to lower temperatures, i.e. from 50K to absolute zero by the Debye- Einstein integral. It is suggested to establish the Debye Einstein integral fit as standard method to describe molar heat capacities in the low temperature range between almost 0K and 300K. Thereby, the derived thermodynamic functions are obtained on the same theory-related semi-empirical basis.

Ernst Gamsjäger has completed his PhD in 2002 and worked as a Post Doc with Prof. Militzer at the University of British Columbia, Canada and Prof. Fratzl, Max Planck Institute of Biomaterials, Germany. He obtained the Masing Memorial Award of the German Society of Materials Science in 2007. Since 2010 he works as an associate professor at Montanuniversität Leoben, Austria. He has published around 50 papers in reputed journals, is member of the editorial board of "Metals" and is very active in reviewing manuscripts. He is member of the management committee of the Cost action CA15102 "Solutions for critical raw materials under extreme conditions".

A.V.Topchiev Institute of Petrochemical Synthesis Russian Academy of Sciences

C-C bond formation is a pivotal method to construct complex molecules from some simple substrates, with the electrophilic alkylation of a given starting material being one of the most useful procedures. The straightforward routes to the creation of a variety of alcohols having intricate structures through alkylation of simple alcohols remain very unusual. Previously we found that during heterogeneously catalyzed conversion of ethanol with iso-propanol 2-pentanol formed with the yield equal to 35 wt.%. The general co-products were 1-butanol, 1-hexanol and 1-octanol that are valuable chemicals itself. Here we propose a heterogeneously catalytic route to convert such fermentation products as ethanol, acetone, 2-propanol and 1-butanol obtained from a variety of renewable carbohydrate sources into precursors for petrol, diesel and jet fuels. One of the work features is the use of heterometallic precursors, containing different pairs of metals closer to a distance less than the sum of their covalent radii, for supported catalysts creation. Reaction probable pathways were investigated by the addition of potential intermediates into reaction mixture. Special attention is paid to the hydrogen transfer during the reaction. Catalysts structure peculiarities and its influence on the activity and selectivity are discussed. This study was supported by Ministry of Science and Higher Education of Russian Federation (grant ??-1029.2018.3., agreement ? 075-02-2018-765).

Born in Moscow in 1983. Graduated from D.I. Mendeleev University of Chemical Technology of Russia with a degree in petrochemical engineering in 2006. Earned PhD in Petroleum Chemistry from A.V.Topchiev Institute of Petrochemical Synthesis Russian Academy of Sciences (TIPS RAS) in 2010. Current positions: senior researcher in TIPS RAS, assistant professor in Gubkin Russian State University of Oil and Gas (National Research University). Scientific interests: heterogeneous catalysis and biomass treatment. Scientific index by Scopus (January 2019) H-index - 9, 54 papers.

Ajou University, Korea

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Catalysts Development for Ethanol Self- and Cross-Coupling into Alcohols and Olefins

CO2 Methanation Over Promoted Ni/Al2O3 and Ni/Al@ Al2O3 Catalysts

Andrey Chistyakov* , Polina Zharova and Mark Tsodikov

Thien An Le, Ji Eun Kim, Jong Kyu Kang, Eun Duck Park*


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Co2 methanation attracts more attention recently because of the emergence of Power-to-Gas concept which can transform greenhouse gas (CO2) into transportable fuel (CH4) with hydrogen generated from water using the renewable energy. Since CO2 methanation is an exothermic reaction and thermodynamically limited at high temperatures, it is very important to remove the generated heat efficiently and operate this process at low temperatures. Therefore, it is highly plausible to develop the active catalyst for this reaction at low temperatures and to utilize the thermal conducting support to remove the hot spot during the reaction. In this work, various promoters are compared to increase the low-temperature CO2 methanation activity. This catalytic activity appears to be closely related to the dispersion of Ni and CO2 uptake. Some promoters are effective to disperse the Ni metal as well as to increase CO2 uptake. The Al@Al2 O3 core-shell support is also examined to enhance the heat transfer across the catalyst because it has the thermal-conductive Al core. The promoted Ni/Al@ Al2O3 can be selected as the best catalyst to obtain the high low- temperature catalytic activity and to facilitate the heat dissipation. Various techniques such as N2 physisorption, H2 chemisorption, temperature-programmed reduction with H2, CO2 chemisorption, temperature-programmed desorption of CO2, temperature-programmed oxidation, X-ray diffraction, X-ray photoelectron spectroscopy, and transmission electron microscopy were employed to characterize the catalysts.

Eun Duck Park is the Professor in the Department of Energy Systems Research at Ajou University in Korea. He received his Ph.D. degree in 2001 from Pohang University of Science and Technology in Chemical Engineering. In 2004, he joined Ajou University after two years of research experience in heterogeneous catalysis at LG Chem. Professor Park is an associate editor of Korean Journal of Chemical Engineering and served as a guest editor for Catalysis Today (2016). His research interests include the synthesis and the structural characterization of heterogeneous catalysts for chemical reactions in energy conversion, petrochemical synthesis, and environmental control.

Ritsumeikan University, Japan

Oxidative coupling that can directly convert C-H group for chemical transformations is, in theory, an ideal strategy in organic synthesis to reduce the number of synthetic steps and byproduct generation. Hypervalent iodine reagent has become one of the promising tools in developing oxidative couplings due to its unique reactivities similar to metal oxidants. We have pioneered the metal-free oxidative coupling chemistry using hypervalent iodine reagent, i.e., phenyliodine(III) diacetate (PIDA, PhI(OAc) 2 ) and bis(trifluoroacetate) (PIFA, PhI(OCOCF3) 2 ). Herein, we report our new developments of the hypervalent iodine-induced oxidative couplings of various phenol derivatives utilizing in situ formed quinones and related intermediates. Especially, the quinone monoacetal (QMA) is a unique molecule showing a wide array of reactivities based on the ?,?-unsaturated carbonyl and allyl acetal moieties in one skeleton, and its utilization for the coupling reactions as an intermediate with introductions of nucleophiles is very interesting in developing the new carbon-carbon bond-forming transformations. Accordingly, we have succeeded in highly controlling the reactivities of QMAs toward nucleophiles based on the new activation strategy to realize a series of new coupling reactions of phenols. The synthetic utility of the reagent and catalyst-controlledmstrategy has been demonstratd by the facile approaches to the highly oxygenated mixed biarylmproducts, the useful synthetic intermediate of the natural products, and their oligomers as a resultmof repeating the phenol coupling reactions. The summary of our recent achievements in this area is presented with brief introduction of the research background.

Toshifumi Dohi received his MS in 2002 (Prof. S. Murai) and PhD in 2005 (Prof. Y. Kita), subsequently became Assistant Professor at Osaka University, and was promoted to Associate Professor (PI) in 2014 at Ritsumeikan University. He received the IUPAC-ICOS 15 Poster Award for most excellent presentation, the PSJ Award for Young Scientists (2009), Banyu Chemist Award (2013), Thieme Chemistry Journal Award (2014), and GSC Encouragement Award (2015). His current research interest is focused on the hypervalent iodine chemistry in organic synthesis. For more details, see: http://www.ritsumei.ac.jp/pharmacy/dohi/ at this homepage.

Hypervalent Iodine Oxidative Aromatic Coupling- The Quinone Intermediate Strategy

Toshifumi Dohi


Design and Optimisation of the Structured Co3 O4 -Based deN2O Catalyst Dedicated for Hospital Ventilation Systems

High Selective Hydrogenation of Carbonyl and Hydroxyl Groups Over Sn-M/ Al203

S. Wojcik*, P. Indyka, Z. Sojka and A. Kotarba

Polina Zharova*, Andrey Chistyakov , Sergey Shapovalov and Mark Tsodikov

Jagiellonian University in Krakow, Poland

Nitrous oxide (N2O) is widely used as anesthetic gas in several countries (Sweden, Finland, Norway, England, Australia, Canada and New Zealand), whereas it is recognized as a one of the most dangerous greenhouse gases. For N2O abatement from hospital ventilation systems, noble metal catalysts are applied and there is no well documented investigations reported for such catalyst based on transition metal oxides. Cobalt spinel (Co3O4)-based catalysts were found to be the most active and stable in deN 2 O reaction. Recently, the structured catalyst for elimination of nitrous oxide from nitric acid plants was reported. In this study we design and optimize K-Co 3-XMXO4|Al203|cordierite catalyst dedicated for conditions present in hospital ventilation systems (0-2% N2O, 40-60% humidity, air flow, temperature window 400-600°C with the aim to reach N2O conversion > 95% at temperature of 450°C. The SEM overview of the proposed catalytic system is presented in the figure below. The proposed catalyst (with optimized chemical composition, structure and morphology) exhibits high dispersion of cobalt spinel nanoparticles over alumina washcoat providing the effectiveness factor reaching 1, suitable thermal conductivity, high mechanical resistance, dust tolerance, and low-pressure drops. The developed structured catalyst tested in model and close to real working conditions meets the requirements for hospital N2O -cleaning system.

Sylwia Wójcik is currently a PhD student at Faculty of Chemistry Jagiellonian University in Krakow, working on thesis entitled "Development of structural catalyst for N2O decomposition based on functional correlation: composition-morphology-performance". It is a continuation of research carried out during her bachelor and master studies (2013 and 2015 graduated, respectively) at the same scientific unit. The results of S. Wójcik's research are included in 9 publications (Appl. Catal. B, Catal. Comm., Cat. Sci. Tech). Privately, she loves nature and crimes as well as works as a team leader in The Polish Scouting and Guiding Association.

A.V.Topchiev Institute of Petrochemical Synthesis Russian Academy of Sciences, Russian Federation

Vegetable oils are considered to be renewable feedstock for fuels production. The most promising pathway for converting vegetable oils to iso-alkanes mixture (so-called green diesel) is hydrodeoxygenation (HDO). The main fuel characteristics of green diesel, namely, high cetane number (75-90), lower setting point, high oxidation stability, excel those of biodiesel synthesized via transesterification. Esters deoxygenation proceeds in three general pathways: hydrodeoxygenation, decarbonilation and decarboxilation. Decarboxylation and decarbonylation reactions result in loss of the carbon mass of the reagent, in addition, occurring carbon oxides undergo hydrogenation, results in expensive hydrogen expenditure on the formation of methane. HDO allows saving valuable carbon mass, since a direct hydrogenation of C-O bonds takes place 6 . One of the conditions for the profitability of the chemical process and the requirements of green chemistry is the absence of wastes and by-products. Therefore, an important task is to develop a catalyst that ensures high selectivity of HDO of vegetable oils and its derivatives. In the present work original results on the HDO of microalgal oil, methyl esters of fatty acids and a wide range of acids C1-C18 over M-tin containing catalysts (where M - Pt, Fe, Ru) are presented. The main feature of the work is the use of alumina supported catalysts modified with heterometallic precursors: (PPh4)3[Pt(SnCl3)5]7, [(? 5 - C 5 H 5 )Fe(CO)2]2 SnCl2 , [(? 5 - C 5 H 5)Ru(CO)2 ]2 SnCl2 7. Heterometallic precursors permits to obtain the unique catalytic properties of materials that differs from ones of mono- and bimetallic catalysts synthesized from monometallic precursors. This study was supported by the Russian Science Foundation (Project No. 18-73-00349)

Ph.D. in Petrochemistry, researcher in Laboratory of Catalytic Nanotechnologies, A.V.Topchiev Institute of Petrochemical Synthesis, RAS. Graduated in 2013 as Engineer- ecologist from the Moscow State University Of Mechanical Engineering

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(MAMI)- Moscow with specialization "Renewable And Alternative Energy Sources", had an internship in Germany in the field of "Environmental protection at the present stage". Currently is working on development of Pt-based and Au-based heterogeneous catalysts for the conversion of biomass products in basic petrochemical products and individual components. Author of 25 scientific articles and 3 patents, H-index - 5 (by Scopus January 2019).

Ghent University Global Campus, South Korea

This paper proposes a method to determine kinetic parameters in systems with nonlinear concentration dependencies in equilibrium reactions. Without the use of complicated software, the corresponding parameters can be obtained from linear relations, with a minimum number of experimental data, acquired by semi-batch operation. The underlying theory, given for a general equilibrium reaction A + B ? C + D and it is successfully applied for a transesterification reactions (Heynderickx P. M., Chem. Eng. J., 342, 41-51, 2018). The presented theory is expanded for enzyme catalysis, because they offer sometimes more competitive processes compared to chemical catalysts. An example is the uprising interest in the conversion of glucose into 5-hydroxymethylfurfural for further production of molecules such as dimethylfuran (biofuel), 2,5-diformylfuran and 2,5-furandicarboxyllic acid (polymer monomers), levulinic acid, adipic acid, caprolactam, and caprolactone, and many other molecules, including pharmaceutical ingredients. The presented methodology gives access to forward as well as backward reaction rate coefficients - the well-known Michaelis-Menten method gives equilibrium coefficients. As the number of industrial applications for enzymes has drastically increased, it is the author's believe that only intrinsic kinetics, governed by forward as well as backward reaction coefficients, can be the solid basis for simulation and process optimization purposes. In conclusion, the proposed procedure paves the way for linear parameter estimation procedures using commercial software as Excel® without the tedious non-linear parameter estimation procedures. These kinetic parameters form the solid basis for simulation and process optimization, reaching optimal conversion and yield values.

Philippe M. Heynderickx obtained in 2009 his PhD on heterogeneous catalysis in the laboratory of Prof. Guy B. Marin. He worked at the Department of Environmental Organic Chemistry and Technology from 2010 to 2014. The main focus was on modelling and mathematical description of heterogeneous photocatalysis, compound release in micelle utilization and mass spectrometry applications in fragrance release. From February 2015, being a professor at Ghent University Global Campus, his research mainly focuses on heterogeneous catalysis, kinetics, modelling and characterization of catalyst materials. He received the Young Scientist Award on the 14th International Congress on Catalysis in Seoul, Korea (2008).

A series of nickel-copper supported over alumina catalysts were synthesized by incipient wetness impregnation method. The supported 25Nix Cu100-x /Al2O3 catalysts were characterized by BET, XRD, H2 -TPR, FE-SEM and FTIR analysis. The synthesized catalysts were studied for selective oxidation of cyclohexane using a batch reactor. The study suggested that the 25Ni50Cu50/ Al2O3 catalyst was most active for the oxidation of cyclohexane. The calcinations temperature also affects the cyclohexane conversion and the optimum calcinations temperature was found to be 383 K for 25Ni50Cu50 / Al2O3 catalyst. The products (KA oil) yield was increased with increasing calcinations temperature up to 473 K. The conversion of cyclohexane was gradually increased with reaction temperature upto 348 K using H2O2 to cyclohexane ratio 2:1, and acetonitrile as solvent.

Taraknath Das was born in West Bengal, India, in 1981. He obtained his B.Tech in Chemical Engineering from University of Calcutta in the year 2005 and M.E from Jadavpur University in the year 2007. He received his Ph.D. degree from Indian Institute of Technology Kanpur in 2012. He worked on heterogeneous catalysis using in situ FTIR spectroscopy with Prof.

Acquisition of Nonlinear Kinetics from Linear Relations: Application for Transesterification Reactions and Enzyme Catalysis

Catalytic Oxidation of Cyclohexane at Low Temperature

Philippe M. Heynderickx

Vijendra Kumar Singh, Hrushikesh Pramod Shinde, and Taraknath Das *

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Goutam Deo. Then, he moved to Korea Institute of Science and Technology, South Korea as post-doctoral fellow in 2013. Presently, he is serving as an assistant professor in Indian Institute of Technology Roorkee. His research focused on heterogeneous catalysis and reaction engineering.

1University of Alberta, Canada2Federico Santa Maria Technical University, Chile

Monolith type substrates are superior to fixed beds in terms of pressure drop and flow distribution. Recent investigations have shown that upstream turbulence changes the heat and mass transfer in the entrance length of the substrate [1, 2, 3], which is usually very active in terms of chemical reactions. Most common applications, such as automotive catalytic converters, use more than one monolith substrate close coupled in series. Hence, investigating turbulence generated at the outlet of a monolith becomes relevant, since it affects the performance of the substrates downstream. This study used a series of highly resolved Large Eddy Simulations to investigate the effect of two relevant design and operating variables, such as the channel geometry and the amplitude and frequency of pulsating flow, on the turbulence generation pattern after a monolith type substrate. It was found that the three analyzed variables have a significant effect on the magnitude and location of turbulence generation after the substrate. Current monolith models do not account for the mentioned effects, and should be improved to make them more accurate, consistent at multiple scales, and applicable to a wider range of conditions.

[1] Cornejo I., Nikrityuk P., & Hayes R., (2018). Multiscale RANS-based modeling of the turbulence decay inside of an automotive catalytic converter. Chemical Engineering Science, 175, 377-386. [2] Cornejo I., Nikrityuk P., & Hayes R., (2018). Turbulence generation after a monolith in an automotive catalytic converter. Chemical Engineering Science, 187, 107-116. [3] Cornejo I., Cornejo G., Nikrityuk, & Hayes R., (2018). Entry length convective heat transfer in a monolith: The effect of upstream turbulence. Submitted for publication (Int. J. of Thermal Sciences).

Ivan Cornejo's main research area is the multiscale modeling of catalytic monolith reactors. Recently, Cornejo has contributed to several improvements to current models of honeycomb type substrates. These include the effect of upstream turbulence on the heat transfer inside monolith channels, generation of turbulence of flow leaving a substrate, and detailed models of pressure drop through a monolith. These and other contributions are focused on the developing of accurate models and consistent at multiple scales for further optimization of monolith based catalytic reactors, with and without the use of artificial intelligence.

Tianjin University of Technology, China

How to design and prepare the high activity of electrocatalysts is one of interesting and significant topics in the field of applied catalysis and chemical engineering. Recently, many modern electrocatalysts exploit a strained surface layer as the active component. Our previous work revealed that surface mechanics (e.g. stress, strain) could modulate the electrochemical property (e.g. catalytic activity) of metal electrode. In fact, the investigations on the coupling between surface mechanics and electrochemistry in the past decade have been seen an increasing interest in the field of new energy. This work will study the reaction rates of the oxygen reduction reaction (ORR) on metal electrodes (e.g. gold, platinum) vary when the surface is mechanically strained in the tangent plane. The reactivity of metal catalyst could be thus modulated by surface mechanics behaviors. The traditional rate kinetic equation for the ORR at electrode surface neglects the effect of surface mechanics. Thus it is not appropriate to explain the phenomenon of strain-dependent electrochemical reaction. Our work will investigate the strain-dependence of the adsorption enthalpy and the activation enthalpy for ORR at the strained surface to model the strain-dependent reaction process from the view of the energy transformation. Consequently, it can bring us towards deeper understanding of the effect of mechanical strain on the electrocatalytic

Effect of Substrate Geometry and Flow Condition on the Turbulence Generation after a Monolith Type Substrate

The Electrocatalytic Activity of Metal Could Be Modulated by Surface Mechanical Methods

Ivan Cornejo12*, Petr Nikrityuk1 and Robert E. Hayes1

Aiting Yuan and Qibo Deng*

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activity at the metal-electrolyte interface. This work will offer mechanical factor into the design of new electrocatalysts, for further promoting the application of surface mechanics in the field of applied catalysis and chemical engineering.

Qibo Deng was born in Guangxi, China in 1985. He received his bachelor's (2007) and master's degrees (2009) in Solid Mechanics at the Beijing Institute of Technology, China and received his Ph.D. in Material Physics and Technology at the Hamburg University of Technology, Germany in 2014. After gaining two year of research experience as a postdoctoral associate in Hamburg, he is currently working as an associate professor at the Tianjin University of Technology, China. His research focuses on electrocapillary coupling of surface mechanics and electrochemistry for offering new strategies on the design and preparation of advanced electrocatlytic materials.

Gunma University, Japan

As an anode catalyst for direct methanol fuel cells, PtRu fine particles supported on carbon nanofiber in which TiO2 or CeO2 fine particles are embedded (PtRu/TECNF or PtRu/CECNF) has been proposed. These catalysts showed two to three times higher mass activity compared to that of the conventional catalyst, PtRu/C. Those high activities were explained by the embedded structure that could enhance the positive interaction between Pt and the metal oxide particle. In order to study the interaction at PtRu/TECNF, CO-pulse adsorption and CO-TPD were conducted for Pt based catalysts with different supports including TECNF. CO2 generation at the initial CO-pulse supply was observed only from PtRu/TECNF. This result could be explained by a reaction mechanism that oxygen vacancy of the metal oxide particle takes part in the CO oxidation. Based on the above results, ion beam irradiation was conducted for CECNF and TECNF in order to add oxygen vacancy to the metal oxides and enhance the catalytic activity at the PtRu/TECNF and PtRu/CECNF. The ion beam irradiation enhanced the mass activity of the PtRu catalyst at a certain range of the irradiation density, fluence, depending on the sort of ion. The addition of the oxygen vacancy was suggested by the change of lattice distance of the metal oxide with the irradiation. Composite catalyst of PtRu/TECNF and PtRu supported on reduced graphene oxide (PtRu/rGO) will be also shown as an alternative catalyst having quite high mass activity. The composite catalyst shows high activity exceeding the activity of the constituent catalyst itself.

Nobuyoshi NAKAGAWA get his Ph.D. in Chemical and Environmental Engineering at Tokyo Tech, 1990.After working one year as a research associate at Tokyo Tech., he moved to Department of Biological and Chemical Engineering of Gunma University. Since 2005, he has been a full Professor and belongs to Department of Environmental Engineering Science, Gunma University. His works cover a range of topics related to direct alcohol fuel cells, including optimization of electrode structure, electrode reactions and catalyst development. He has published over 150 peer-review journal articles, 5 book chapters, and 15 patents.

1Tamkang University, Taiwan2 National Synchrotron Radiation Research Center, Taiwan3National Chiao Tung University, Taiwan4National Chung Hsing University, Taiwan5National Chiao Tung University, Taiwan

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Highly Active Anode Catalysts Employing MO2 (M=Ti, Ce)-Embedded Carbon Nanofiber Support for Direct Methanol Fuel Cells

X-Ray Absorption Spectroscopic and Electrochemical Investigation of NiCo2O4/Graphene Quantum Dots (GQDs) with Efficient Electrocatalytic Properties for Electrochemical Energy Devices

*Nobuyoshi Nakagawa and Hirokazu Ishitobi

Han-Wei Chang1, Ji-Xuan Fu4, Ying-Rui Lu1,2,3 , Yu-Cheng Huang1,2,3, Jeng-Lung Chen2, Chi-Liang Chen2, Jin-Ming Chen2, Yu-Chen Tsai4* , Wu Ching Chou5 and Chung-Li Dong1,2*


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The NiCo2O4 /graphene quantum dots (GQDs) were synthesized by the incorporation of GQDs within NiCo 2 O 4 as electrode materials for using in supercapacitors and direct methanol fuel cells. The mechanism of energy storage/conversion for NiCo2O4/GQDs was investigated toward X-ray absorption spectroscopy (XAS) and electrochemical measurements. XAS and electrochemical results evidence that richer redox active sites present on the surface of NiCo2O4/GQDs arising from the strong C-O-Ni/Co interaction between the interface of NiCo2O4 and GQDs, further indicates that NiCo2O4/GQDs be an better electrode materials because richer redox active sites offer principle capable of reversible redox behavior, and thus to achieve better electrochemical and capacitive characteristics by the combined effect of both double-layer capacitive and pseudo-capacitance contribution. In this work, the combination of XAS and electrochemical measurements allow to establish the possible energy storage/conversion mechanism and understand why NiCo2O4/GQDs revealed an enhanced electrocatalytic activity. It will offer considerable potential value to general readers with an interest in nanomaterial, nanotechnology and have identified applications in renewable energy systems.Keywords: NiCo2O4, graphene quantum dots, X-ray absorption spectroscopy

Han-Wei Chang graduated his Doctor degree in Department of Chemical Engineering from National Chung Hsing University (Taiwan) and now is currently a postdoctoral researcher in the Department of Physics at Tamkang University (Taiwan). His research interests focused on X?ray spectroscopy, electrochemical energy devices and nanomaterials.

1ENSCR, France2University of Gabes, Tunisia3EPFL-SB-ISIC-GPAO, Switzerland

Catalytic ozonation associated to non-thermal plasma/photocatalytic technologies were used for butyraldehyde (C4 H8 O) and Ozone (O3) decomposition. Commercial catalytic materials as ?-alumina (from Alfa Aesar Company), Mordenite and ZSM-5 (from TOSOH Corp Tokyo75 Japan) were tested in order to reduce residual ozone generated via plasma- photocatalytic reactor. For this purpose, a series of experiments were carried out in a plasma-photocatalytic reactor in series with vertical catalytic fixed-bed reactor by varying some operating parameters: initial concentration, relative humidity, plasma energy and catalyst dosage. Performance of oxidation by synergetic association of catalytic-bed system to DBD-plasma/UV-TiO2 reactor was evaluated. The different zeolites tested showed good catalytic activities towards C4 H8 O/Ozone degradation. Butyraldehyde removal efficiency increased dramatically (80%) after DBD-plasma/photocatalysis/ZSM-5 association, due to the decomposition of Ozone into reactive species. Only 0.68 mg m -3 of Ozone was released via combined system against 53.24 mg m -3 under plasma/photocatalysis process without catalytic ozonation. Thus, Ozone results showed that radicals created on catalyst surface may contribute to the enhancement of the degradation and the optimization of oxidation process. Moreover, CO/CO2 selectivity (81.6%) revealed a good mineralization, another improvement due to synergism of plasma/catalytic-bed system. The oxidized by-products characterizations of C4 H8 O were identified by a Gas Chromatograph-Mass Spectrometer. Catalytic surface characterizations after/before treatment were also performed by X-ray Photoelectron Spectroscopy (XRD).Keywords: Air treatment, Continuous oxidation, DBD-plasma, Zeolites fixed-bed, Synergetic effect.

Abdelkrim BOUZAZA is an associate professor (A.P.) at the Chemistry Engineers School ENSCR in Rennes, France. He had his PhD in Chemical Engineering in 1989 from University of Technology of Compiègne (France). His research focuses mainly on advanced oxidation processes (photocatalysis, plasma) for air and water treatment. He is an author/co-author of more than 70 publications, 2 patents and 60 congress communications. He collaborates with North African and European countries, as a project responsible or PhD co-director, on the study of the water and air depollution processes.

Association of DBD-plasma/Fixed-bed Catalyst Reactor for VOC Oxidation: Process Optimization and Ozone Valorization

Wala Abou Saoud1,2, Aymen Amine Assadi1, Monia Guiza2, Abdelkrim Bouzaza1*, Wael Aboussaoud2, Abdelmottaleb Ouederni2, Sami Rtimi3 and Dominique Wolbert1


Studies on the Fischer-Tropsh Synthesis Over Co-Ru/?-Al2O3 -SiC Catalyst for application in GTL-FPSO process

Mesoporous Molecular Sieves as Potential Lewis Acid Catalysts for Epoxide Ring Opening Using Aniline

Young Su Noh 1,2 , Kwan-young Lee 2 and Dong Ju Moon 1,2,3*

Rekha Yadav1 and Ayyemperumal Sakthivel2

1Korea University, South Korea

Recently, the emission of greenhouse gases and the fluctuation in the oil price have emerged the necessity of researches on the sustainable and cost-effective clean fuels. It was reported that GTL process is one of the key solutions for the production of clean fuels with the reduction of greenhouse gases. However, in case of flared gas and CO2 rich offshore remote NG, the conventional GTL process is not economical. Compact GTL and GTL-FPSO are an innovative process to solve the environmental and economical issues. In this paper, Co-Ru/ Al2O3 -SiC catalyst was investigated for the GTL-FPSO applications. Especially, to enhance the thermal conductivity of structured catalyst (d=1-1.5 mm), the modification of support through the combined SiC and beohmite was investigated. Because the dispersion of metallic components on the SIC support properly is difficult. The catalysts were extruded and molded by marumerizing method. The prepared catalysts were characterized by SEM, TEM, XRD, XPS, TPR and N2 -physisorption techniques. The catalytic performance was investigated at T=210~230 °C, P=20 bar and GHSV of 1,000 h -1 in a fixed bed reactor. The CO conversion and C 5 + selectivity was improved by increasing the SiC content and then decreased. It was considered that Cobalt particle size increased sharply at SiC ratio of 25 wt.% was caused by the reduction of SMSI and the support porosity. It was found that the Co-Ru/ Al2O3 -SiC (15wt.%) catalyst showed higher CO conversion with C 5+ selectivity than the others.

Dong Ju Moon is a principle researcher at Clean Energy Research Center, Korea Institute Science and Technology (KIST) since 1989. He has been a faculty member as an adjunct professor of Department of Chemical and Bio-Engineering., Korea Univ. since 2001. Additionally, he is Professor in UST- KIST School from 2004. He completed his Ph. D. at Korea University. in 1998. His research interests are mainly focused on the design of catalyst, reactor and process especially in the application of GTL-FPSO process for offshore clean fuel, Hydrogen station for FCPVs, and CO2 catalytic conversion technology. Dr. Moon has contributed to 14 commercialized projects, applied/ filed 135 patents and published 142 papers.

1University of Delhi, India2Central University of Kerala, India

Mesoporous molecular sieves plays a major role in catalysis, catalytic supports, sorption's etc. A substantial amount of work has focused on these materials as they possess uniform framework channels with wider pore diameters, high surface area and excellent sorption capacity. In particular, the Santa Barbara Amorphous (SBA-15) materials developed by Stucky et al., is one of the most studied material due to its unique characteristic features, including thick pore walls, highly ordered structural regularity and simple synthesis method and reproducibility. The pure silica-based SBA-15 framework, however, lacks surface acidity, basicity or redox properties, which limits its catalytic applications. The introduction of different hetero-elements into the framework of SBA-15 via post-synthesis method facilitates the generation of Lewis acidic sites resulted in extension of its applications in catalysis, absorbance and as potential support. A series of aluminium oxide (Al 2 O 3 )-supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. Powder X-ray diffraction, nitrogen adsorption/desorption, infrared spectroscopy and ammonia TPD were used to investigate the structures and chemical natures of the surface-bound species. The FT-IR studies of metal-impregnated SBA-15 materials revealed strong covalent interaction of Al 2 O 3 on SBA-15 materials with strong Lewis acidic properties, evident from ammonia-TPD studies. The metal oxide-supported SBA-15 catalysts are active for epoxide ring opening with aniline at room temperature, and showed remarkably high stability and selectivity towards mono-alkylated products (about 86%) viz., 1-(phenylamino)propan-2-ol and 2-(phenylamino)propan-1-ol. The catalytic activities remained intact after several recycles. The observed activities and selectivities were compared with other metal oxide-loaded SBA-15 catalysts obtained by similar preparation methods.

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Rekha Yadav, received her Ph.D. in materials and heterogeneous catalysis at University of Delhi, India. Currently she is teaching as Assistant Professor in the Department of Chemistry, Sri Venkateswara College, University of Delhi. To her credit, she has 15 research articles published in peer-reviewed international journals. Her research interests focus on development of inorganic composite materials and its importance for fine, petrochemical transformation.

Indian Institute of Technology Kharagpur, India

The current scenario of declining energy reserves demands extensive utilization of renewable resources, biomass derived substances and byproducts. Acetone is a low value byproduct of cumene process for phenol production. The acetone market is not able to keep pace with production. In order to address this concern, it is essential to find ways of acetone valorization using different catalytic routes. In this work, we studied transformation of acetone to isopropanol via hydrogenation in vapour phase at atmospheric pressure using a non-noble metal based mixed oxide catalyst. A series of Cu-Al mixed oxides were synthesized from cheap precursors using co-precipitation method and tested for hydrogenation activity in a continuous packed bed reactor. The Cu:Al atomic ratio was varied from 0.25 to 1 (CuAl0.25, CuAl0.5, CuAl0.75 and CuAl1). The catalysts were characterized using BET, XRD, FESEM (coupled with EDS), CO2 -TPD, NH3 -TPD and H2 -TPR. The performance of all the catalysts was tested by varying temperature (150 to 225°C), H2 /Acetone mole ratio (0.5 to 1.25) and space-velocity (0.09 to 0.145 kmol acetone/kg cat h). Conversion of acetone increased with Cu:Al atomic ratio. The sample having Cu:Al atomic ratio of 0.5 showed highest selectivity (96%) to isopropanol at 175°C. A rate equation based on L-H-H-W kinetic model was derived and validated. The activation energy was determined to be 44 kJ / mol.

Sanchari Basu is a PhD student in the department of chemical engineering, Indian Institute of Technology Kharagpur, India. She achieved a bachelor's degree in chemical engineering from Sardar Vallabhbhai National Institute of Technology, Surat and a master's degree in petroleum engineering from Pandit Deendayal Petroleum University, Gandhinagar, India. Her current field of research is synthesis of value added products via heterogeneous catalysis using non-noble metals. Her research interests include catalysis for petrochemicals, petroleum refining and separation processes.

Sardar Vallabhbhai National Institute of Technology, India

High temperature treated fly ash was functionalized with sulphate groups and was successfully utilized in the cost-effective biodiesel synthesis using corn acid oil (CAO). The XRD pattern of the fly ash were compared before and after sulphonation treatment. The treated fly ash exhibited more intense peak of Mullite phase as compared to its parent structure. The presence of elements and the functional groups on fly ash surface were confirmed by SEM-EDS and FT-IR analysis. TG-DTA analysis indicated thermal stability of materials upto 550 °C. The BET analysis indicated higher surface area and pore diameter of treated fly-ash. Box-Behnken design was developed to get maximum conversion of CAO to biodiesel. The maximum biodiesel conversion (97.48 %) is observed under the optimized reaction condition of various reaction parameters such as, reaction temperature, catalyst loading, reaction time and CAO to methanol ratio as, 105 °C, 5 wt. %, 3.33 h, 1:11.87, respectively. This work is an attempt of making use of green catalysis, wherein low-cost fly ash based catalyst was synthesized and utilized for the biodiesel production from renewable starting materials such as corn acid oil. This protocol may offer economic viability for large scale production of biodiesel from sustainable resource.

Dharmeshkumar R. Lathiya has obtained his M.Sc. degree in Inorganic chemistry, in 2011 from Maharaja

Kinetics of Acetone Hydrogenation for Synthesis of Isopropanol over Cu-Al Mixed Oxide Catalyst

Fly-Ash Based Solid Acid Catalyst: Synthesis, Characterization and Application in Biofuel Production

Sanchari Basu* and Narayan C Pradhan

Dharmeshkumar R. Lathiya*, Dhananjay V. Bhatt and Kalpana C. Maheria


Krishnakumarsinhji Bhavnagar University, Gujarat, INDIA. Currently, he is pursuing his Ph.D. in the area of development of heterogeneous catalysts for the cost-effective biodiesel production using low-cost oil, under the guidance of Kalpana Maheria, at Applied Chemistry Department, S. V. National Institute of Technology, Surat, Gujarat, INDIA. He has presented his research in the several national and international conferences. He has published two research papers in reputed journals. Lathiya possesses four years of industrial work experience (Coromandel International Ltd. and ATUL Ltd., Gujarat).

Indian institute of Technology Delhi, India

Fischer-Tropsch (FT) a well-known commercial process for the production of sulfur-free synthetic liquid fuel from syngas since 1936. The syngas used as a feedstock in this process is derived from various sources like natural gas, coal, petcoke and biomass sources. FT using syngas derived from biomass/coal gasification comprised of a mixture of CO, CO2, H2, and CH4, is still under developing stage with an inherent inadequacy of optimal H/C ratio required for commercial FT process. The two main challenges in FT process are the unavailability of sustainable methods for conversion of H2 deficient and CO2 abundant syngas. The process of CO2 and CH4 removal from the syngas to be used as feed for FT was emphasized in the earlier literature. Water-Gas Shift (WGS) reaction over Fe-based catalyst could provide a solution to overcome the H2 deficient nature of biosyngas, but it will increase CO2 content which may lead to lower economic efficiency. The combination of shape selective and acid functionalized zeolites with conventional group-VIII FT active metals is an attractive combination for selective production of cleaner synthetic Diesel fuels from biomass-derived syngas. Fe-Co bimetallic active metals supported on commercial zeolites was investigated for converting H2 deficient and CO2 containing syngas with the CO2/(CO+CO2)=0.32 into synthetic fuel. Piperazine treatment to zeolite support with optimized Fe/Co bimetallic particles of proper size in close vicinity to acidic sites in zeolites. The collegial effect of the uneven distribution of weaker acidic sites in conjugation with hierarchical porous structure was investigated regarding 50.6% selectivity towards linear chain C13-C23 range hydrocarbon with high cetane number with the positive conversion of CO2 from hydrogen deficient biomass-derived syngas.

Shashank Bahri is currently a Senior Research Fellow in the Department of Chemical Engineering, Indian Institute of Technology Delhi. His research interests include environmentally benign heterogeneous catalysis, Petrochemical and Refinery catalytic processes, catalytic manufacturing of fine chemicals in green chemistry route involving ionic liquids, biomass conversion to biofuels, Kinetics and Modelling of heterogeneous reactions.

Efficient & Economical Catalytic System for Selective Production of Synthetic Diesel from Syngas with Lower Ribblet Ratio

Shashank Bahri and Sreedevi Upadhyayula

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WEDNESDAY, April 10, 2019

DAY3


Hydrogen Generation from Ammonia Borane over WC Involving Nano Metal Co Domain

From Nanomaterials via Enzyme Immobilization to Biosensors

Masao Morishita1*, Ai Nozaki1*, Hiroaki Yamamoto1*, Masaki Mori1* and Hidefumi Yanagita2*

Teofil Jesionowski *, Artur J?drzak, Tomasz R?bi? and Jakub Zdarta

1University of Hyogo, Japan2Sanalloy Industry Co., Ltd., Japan

Similarity between the electronic states for tungsten carbide (WC) and those for platinum (Pt) was discussed by theoretical calculation and spectroscopy in the American Journal "Science" in the 1970's. However, catalytic activity like Pt has not yet been recognized for WC. In the present study, anomaly enhanced catalytic activity was found in the WC involving the nano metal cobalt domains for the first time, synthesizing it by carburizing the cobalt supersaturated-tungsten powder with carbon dioxide gas. Hydrogen is expected to be one of the next-generation energy sources. Ammonia borane (H3NBH3) is a candidate for the stable solid substance for storage and transportation of hydrogen. Catalytic activity of the novel carbide to evolve hydrogen gas (H2) by hydrolysis of ammonia brane was investigated, compared with WC powder and Pt Catalyst. Although hydrolysis of ammonia brane was never caused by WC powder, H2 was actively evolved over the WC involving nano-metal cobalt domains. Assuming H2 evolution site is cobalt, the reaction rate per unit surface area of the nano cobalt domains with a diameter of 60 nm was found to be thirty times higher than that of the nano platinum particles with a diameter of 0.77 nm loaded on the alumina particles. The anomaly hydrogen evolution appears to be caused by cooperative mechanism by the WC skeleton and the cobalt domains involved in it.

Masao Morishita received his Ph. D degree from Osaka University in 1986. He joined Kobe Steel, Ltd. as a research engineer. In 1992, he moved to University of Hyogo as a research associate and was promoted to Professor at the Department of Chemical Engineering and Materials Science in 2005. He has also served as a committeeman of the nuclear fuel waste safety management of OECD since 2010. He was awarded the Spriggs Phase Equilibria Award (2005) from the American Ceramic Society. His research scope is chemical thermodynamics of materials used for energy conversion.

Poznan University of Technology, Poland

In recent years great efforts have been focused on the magnetite like a component of advanced material due to its valuable features like chemical inertness, non-toxicity, biocompatibility, thermal stability, and first of all ferromagnetic properties. Preparation hybrid materials, such as novel magnetite/lignin/polydopamine (Fe3O4 /Lig/PDA), which synthesis and physicochemical characterization is presented, is a promising aproach for synthesis of a novel and effective platforms for a enzyme immobilization and biosensing application. The platform has interesting features like improved thermal and mechanical stability, excellent adhesion for inorganic@organic materials, transferability of electrons and photothermal properties. The crucial technology progress lead to the intensification of research into the creation of more sophisticated solutions and advanced materials for many fields of science such as biocatalysis or biosensors constructions. Enzyme immobilization using hybrids support materials is of particular interests as it results in creation of biocatalytic systems characterized by improved biological stability and reusability. Hybrid materials with immobilized enzymes for glucose biosensors have gained enormous attention due to the need for a cheap and effective glucose monitoring. Detection of specified analyte is a significant aspect in various fields like medicine, pharmacy, food industry, military or forensics. Commercially available glucose monitoring devices have become a crucial part of diabetes care or monosaccharide, thus in the market there are presented a biochemical specialists for the qualitative and quantitative detection. However their application is limited due to manufacturing variances, low storage stability, aging etc., which might be overcome by use of the biosensors with enzymes immobilized onto hybrid materials.Acknowledgments: This work was supported by the National Science Centre Poland under research project no. 2017/27/B/ST8/01506.

BiographyTeofil Jesionowski Received the Ph.D. in Chemical Technology at the Faculty of Chemical Technology, Poznan University of Technology in 1999. Now a full professor and head of the Division of Chemical Technology there. Since 2016 a vice-Rector

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for Long Life Learning & International Education at Poznan University of Technology. Research and scientific areas: surface and colloids science, biomimetic and hybrid materials, nanocomposites, biopolymers, enzyme immobilization, environmental protection as well as chemical biosensing. During scientific carrier published over 300 peer-review papers, 5 book chapters and holding over 45 patents and patent applications.

1University of Bradford, UK2 University of Technology, Jamaica

Heat treatment is a frequently used technique for modifying the physical and chemical properties of materials. In this study, the heat treatment on the wear performance of electrophoretic deposited nanocomposite coatings was investigated. Two types of coatings were developed from standard Watt's nickel bath solution; pure Ni and Ni/ Al2O3. The effect of heat treatment on the thermal stability and surface morphology of the coatings were evaluated using an x-ray diffractometer (XRD) and a confocal microscopy, while the wear rates were evaluated as a function of annealing temperature, coating composition and applied load using a pin-on-plate wear test. The as-deposited Ni and Ni/Al2O3 coating were found to be partially amorphous, however, the structure became more crystalline as the annealing temperature was increased. Additionally, increasing annealing temperature caused the grain sizes of the coatings to increase which resulted in a reduction of the coating hardness as predicted by Hall-Petch relationship. Extensive morphological changes were observed at the surface of the coatings as a function of annealing temperature. These changes were recorded as an increase of the surface roughness of the coatings. The compounding impact of the changes recorded was a reduction of the wear resistance of the coating. The results showed that the wear rate increase with increases in annealing temperature and test load. This study is critical for the establishment of operational limits for nanocomposite coatings.

Kavian Cooke is a leading authority in surface and interface engineering. His research topics ranges from the development of wear and corrosion resistant surfaces to interfacial joining of similar and dissimilar materials. Dr. Cooke has authored three books and numerous journal articles. He obtained his Ph.D. from the University of Calgary, a B.Eng. with honors, an M.Phil. from the University of Technology and an MBA from Patten University. He is a journal reviewer, Chartered Engineer with the Institution of Engineering and Technology, a member of the Caribbean Academy of Science and former Vice President of the Jamaica institution of Engineers.

Los Alamos National Laboratories, USA

Microkinetic Rate Theory (MRT) has been an important part of chemical kinetics, being taught in undergraduate physics and chemistry courses, and forming the basis of modern descriptor theory used widely in research. In spite of MRT's ubiquitous importance, it has remain unformalized and ungeneralized. In this talk, MRT is formalized and generalized. MRT is cast as an algebraic expansion and those matrix elements forming the coefficients of the generalization defined in terms of reaction rate constants, which are in turn connect to statistical mechanics. A transport formulation of MRT is given and it shown that Fickian diffusion is a subset of MRT. MRT is shown to deviate from direct kMC simulations in a certain rate regime which is attributed to phenomenologically distinct stochastic and deterministic rate regimes, similar to diffusion and continuum fluid mechanics, but relevant to chemical and complex kinetics. The origin of this deviation is discussed, with fluctuations and oscillations proposed as possible causal agents. A fluctuation theory is presented, and shown not to cause MRT deviations; the structure and role of oscillations is discussed.

MF is a Director's Fellow at Los Alamos National Labs working in the T1 group - physics and chemistry of materials. MFs

Effect of Heat Treatment on the Thermal Stability and Sliding Wear Performance of Nano-Crystalline Cermet Coatings

Progress in Modeling Arbitrarily Complex Chemistry: Microkinetic Rate Theory - Formalization, Current Limitations, Prospects as Basis for Continuum Rate

Kavian O. Cooke1,2* and Tahir I. Khan2

Michael F Francis

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work has focussed on the theory of chemical and materials phenomena including corrosion, catalysis, metallurgy, and fuel cells. MF one of the developers of diffusion on demand in metallurgy, found how to use mechanical work to modify the energy of a chemical bond, and is now developing models and simulation techniques of chemical networks.

Maulana Azad National Institute of Technology, India

Two dimensional materials research is very fastest growing field where the material such as graphene , MoS 2 , and silicene are utilising various potential applications as catalyst, energy harvesting, water purification, electronics device and space applications. In these material categories, oxide based stannous oxide (SnO) material is one of hexagonal sheet which is a p-type semiconductor material. In this study, SnO sheet was synthesised using air oxidation process and surface was characterized through different techniques such as SEM, TEM and AFM. The chemical composition of synthesized SnO flake was determined by XRD and EDAX techniques. Moreover, band gap and optical properties was study through UV-spectra and photoluminescence (PL). Using TEM, nanoflakes structure is analysed and observed the distribution, smoothness of film, an interlayer distance, defects and SAED pattern. From the AFM image, we confirmed the thickness of the sheet in the range of one to few layer. p-type semiconductor was confirmed from the UV- spectra. SnO sheets also emit the fluorescence in both wavelength at high 514 nm (green light) and low 488 nm (blue light), this emission may be dependent on the number of layer and the substrate (silicon, graphene, and glass). Based on above results, this material can be utilised as a photo-catalyst and thin film application of solar cell. In future, this new material can be used to explore more properties and as an efficient catalyst.Key words: Stannous oxide, photoluminescence, AFM image, solar cell, photocatlayst.

Suresh has maintained balance between academic and practical experience in the past 10 years. He has interests in Separation process, Catalysis & Reactor Design, Wastewater Treatment, Waste-to-Energy conversion; Carbon based Gas Sensor and Photocatalytic process. In the past 10 years, he has obtained experience in nonlinear dynamic analysis of buildings and offshore structures and investigated them for their critical performance behavior under various environmental loadings. He has been an active member in different administrative and technical committees at MANIT, Bhopal. Suresh has a combined experience of teaching, research and Industrial consultancy in designing and supervising Reduce, Reuse and Recycle and Resource Efficiency as the basis for Sustainable Waste Management for Chloro-Alkali and Petroleum industries in Northern India. He has successfully completed research based industrial projects resulting in design and development of new design indigenous catalytic reactor as applied to waste management; some of them include i) CO 2 Conversion ii) disposal of oily sludge to create a resource recycling-oriented society and iii) development and optimization of bio-char for carbon sequestration.

University of Mauritius, Mauritius

Plant fibre classified as environmentally friendly material is a promising renewable engineering material rich in lignocellulose that can be employed in the pulp and paper industry as a substitution to wood which has been entailing negative environmental impacts due to acute deforestation. This paper assesses the feasibility of manufacturing biodegradable, writable and eco-friendly papers from low-cost and locally available biomass such coir husk of Coconut and Pineapple leaves which would have otherwise ended in the landfill. Pulping was done through soda or kraft process based on the pulp yields of each feedstock. The biomass were used along with wastepaper in different ratios. Papers of 60g/m2 were produced with and without binder. Tapioca starch was added as binder to strengthen the paper, rendering it more opaque with a good folding endurance as well as an increased resistance to bursting and abrasion. The properties of the paper were assessed through physical and mechanical tests. The mean thickness of the unreinforced and starch reinforced papers were found to vary between 0.212±0.02mm to 0.276±0.02mm and 0.262±0.03mm to 0.323±0.05mm respectively. The reinforced 100% coconut husk paper specimens demonstrated the greatest tensile and burst index of 18.58Nm/g and 2.266kPa m2/g respectively requiring the highest number of 125 turns to get abraded. Unreinforced 100% pineapple

Synthesis of Two Dimensional Material Tin Oxides (SnO) and its Properties

Lignocellulosic Biomass as a Promising Engineering Material for Non-Wood Paper Production

Sunny Kumar and Suresh Sundaramurthy*

Jeetah Pratima1* and Surroop Dinesh2

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fibres showed the lowest absorbency rate of 1.2±0.5s implying that it is 40 times more absorbent than 60g/m2 normal paper. The paper specimens having the highest mean recovery angle suitable for writing materials were the reinforced 60% Cocos Nucifera and 40% wastepaper(77.60).

Acknowledgements:The Authors would like to acknowledge the University of Mauritius for funding this research project.

Pratima Jeetah is currently the Head of the Department of Chemical and Environmental Engineering. She holds a PhD in the field of bioprocess engineering which focussed on bioethanol production from lignocellulosic biomass. She has also a Master degree in sustainable energy utilisation from the KTH Royal institute of technology of Sweden. Her research interest is basically geared towards lignocellulosic waste biomass conversion to biofuels and to production of innovative engineering material was lignocellulosic feedstock, waste to energy conversion processes, waste minimization and management. She also holds a Bachelor's degree in Chemical and Environmental Engineering from the University of Mauritius.

1Universidade do Porto, Portugal2 Universitário de Santiag , Portugal

The global awareness of the environmental and health issues associated with the hazardous emission of sulfur has led to the implementation of strict regulations. Nitrogen oxides (NOx ) and sulfur dioxide (SO2) are major air pollutants, so simultaneously removing them from fossil fuels is crucial. Catalytic oxidative desulfurization (ODS) and denitrogenation are regarded as the most promising and economical processes to meet the future environmental regulation for low sulfur and nitrogen fuels. On the other hand, the nitrogen compounds are strong inhibitors in the removal process of sulfur compounds. Therefore, the development of novel efficient desulfurization and denitrogenation systems that combine sustainability, cost-effective and viability for its application in refineries is vital. In the present communication, simultaneous effective oxidative desulfurization and denitrogenation will be presented. These are oxidative catalytic systems based in MOFs materials capable to oxidize simultaneously nitrogen and sulfur compounds under sustainable conditions. The oxidation is also conciliated with and extraction process to remove oxidized products. Efficiency, stability and recyclability of these systems will be presented.

Salete Balula completed the PhD degree in Chemistry in 2004, Univ. Aveiro, Portugal. After completing the PhD studies Salete started the postdoctoral work in Material Science and Heterogeneous Catalysis, Univ. of York, UK, and CICECO Laboratory, Portugal. Since 2015, Salete is a Principal Investigator in LAQV-REQUIMTE Laboratory, Portugal. She has been developing novel oxidative/extractive desulfurization systems to produce low-sulfur fuels. Her work has been performed with national and international collaborations in the area of catalysis and materials and also with the industry (Galp Energia). Salete published a total of 77 papers in international peer review journals (34 as senior author).

1Yuan Ze University, Taiwan

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Simultaneous Desulfurization and Denitrogenation Processes using Catalytic MOFs to Produce Clean Fuels

Enhancement of Biodiesel Production via Sequential Esterification and Transesterification over Solid Superacidic and Superbasic Catalysts

Salete Balula1*, Alexandre Viana1, Rui Faria1, Diana Julião1,2, Susana Ribeiro1, Baltazar de Castro1 and Luís Cunha-Silva1

Kuen-Song Lin1* , Chao-Lung Chiang1,2, Chia-Wei Shu1, Jeffrey Chi-Sheng Wu3, Kevin Chia-WenWu3 and Yu-Tzu Huang4


2 National Synchrotron Radiation Research Centre, Taiwan3 National Taiwan University, Taiwan4 Chung Yuan Christina University, Taiwan

Soybean oil containing a fatty free acid (FFA; palmitic acid, 5.0 wt%) was converted to biodiesel by a two-step process in a catalytic fixed-bed batch reactor using SO42-/ZrO2/ Al2O3, KF/CaO-Fe3O4, and Na/NaOH/ Al2O3 catalysts. A solid superacidic (SO 4 2- / ZrO2/ Al2O3: 0.1-1.5 M H2SO4 ) and two solid superbasic (KF/CaO- Fe3O4, 5-25 wt% KF; Na/NaOH/ Al2O3, 10-25 wt% NaOH) catalysts were prepared by calcination at 300-700 ?C and 200-700 °C, respectively. Notably, the FFA removal efficiency of SO42-/ZrO2/Al2O3 (80.0%) was much higher than that of commercial Amberlyst IR 120 (30.0%) in a 3-h reaction. Optimal biodiesel yields were obtained using KF/CaO-Fe3O4 (83.0%) and Na/NaOH/Al2O3 (100.0%). Catalytic reaction mechanisms of the conversion of soybean oil with FFA into biodiesel using solid superacidic and superbasic catalysts were also proposed. The FFA and soybean oil were converted to biodiesel over the superacidic and superbasic catalysts, respectively.

Kuen-Song Lin, a senior professor of Department of Chemical Engineering and Materials Science, Yuan Ze University in Taiwan. He is also the director of Environmental Technology Research Centre (ETRC) and dean of Research and Development (R&D office) in Yuan Ze University. His research topics includes the waste recycling/reutilization, on-site soil/water pollution remediation, environmental/photocatalytic catalyst preparation technologies, hydrogen storage, carbon capture, and sustainable energy generation.

Sardar Vallabhbhai National Institute of Technology, India

The present work is focusing on the improvement of catalytic characteristics of zeolite. In the present endeavor, zeolite H-BEA has been modified using sol-gel route by making use of tetradecyltrimethyl ammonium bromide (TTAB) surfactant as a structure directing agent. The synthesized mesozeolite has been characterized by various techniques such as SEM, HRTEM, wide-angle XRD, FT-IR, pyridine FT-IR, NH3 -TPD, ICP-OES and BET surface area. The synthesized materials were found to exhibit mesoporosity along with microporosity of parent H-BEA. The utility of modified H-BEA as heterogeneous catalysts were demonstrated in the production of value added chemical, n-butyl levulinate from biomass derived levulinic acid (LA) via esterification reaction. n-butyl levulinate is one of the significant industrial chemical and has wide use as plasticizing agents, solvents and odorous substances. Various process variables such as molar ratio (LA to n-butanol), catalyst concentration (%) and reaction time (min) were optimized by response surface methodology, using the Box-Behnken Design. Analysis of variance has been performed to investigate the suitability and significance of the quadratic model.

Dhara Hasmukhbhai Morawala is pursuing her research on solid acid catalyzed organic transformations of biomass derived chemicals into value added chemicals, under the guidance of Kalpana Maheria at Applied Chemistry Department, SVNIT, Surat, Gujarat, INDIA. Ms. Morawala has obtained Rajiv Gandhi National Fellowship from UGC, New Delhi, INDIA, in 2015, to perform her doctoral research. She has been awarded a scholarship from "German Federal Ministry for Education and Research (BMBF) authorized to RWTH Aachen University through the German Academic Exchange Service (DAAD) to participate in the IGCS Summerschool-2016 held at TU Berlin, Germany during 10 - 19 July 2016.

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Ttab Mediated Synthesis of Meso-H-BEA and its Application in the Production of n-Butyl Levulinate

Dhara Morawala*, Dharmesh Lathiya and Kalpana Maheria


Catalytic Performance of Desilicated MFI Modified with Iron in Environmental Catalysis

Ni-Promoted Zeolite-Y with Graphene Oxide for Hydrocracking

Aleksandra Borcuch1*, Ma?gorzata Rutkowska1, Anna Marzec1, José María Moreno1, UrbanoDíaz 2 and Lucjan Chmielarz1

Roba Saab*, S. Kumar, Kyriaki Polychronopoulou and Andreas Schiffer

1 Jagiellonian University, Faculty of Chemistry, Poland2 Universidad Politécnica de Valencia, Spain

Modification of zeolites with bimodal porous structure with transition metals is an important issue of environmental catalysis [1]. Zeolites modified with transition metals, such as Cu or Fe, were found to be active catalysts in various reactions of environmental protection sector [1,2]. In the case of catalysts based on zeolites, the presence of micropores may have a negative effect on the internal diffusion of molecules during catalytic process [1]. One of the possible solutions, which can be used to eliminate diffusion limitations is generation of mesoporosity, e.g. as a result of zeolite desilication [3]. Hence, more open structure of micro-mesoporous zeolite and thus, the better accessibility of molecules to active centres, can lead to an increase in the catalytic activity of the used catalysts. The aim of the study was examination of the influence of Fe aggregation on the catalytic activity of conventional and desilicated ZSM-5 zeolite modified with iron in the form of monomeric cations and oligocations in the environmental processes.

References:[1] M. Rutkowska, I. Pacia, S. Bas?g, A. Kowalczyk, Z. Piwowarska, M. Duda, K.A. Tarach, K. Góra-Marek, M. Michalik, U. Díaz, L. Chmielarz, Micropor. Mesopor. Mat., 246 (2017) 193- 206.[2] D. Macina, Z. Piwowarska, K. Góra-Marek, K. Tarach, M. Rutkowska, V. Girman, A.B?achowski, L. Chmielarz, Mater. Res. Bull., 78 (2016) 72-82.[3] J.C. Groen, J.A. Moulijn, J. Pérez-Ramírez, J. Mater. Chem., 16 (2006) 2121-2131.

Aleksandra Borcuch is a PhD student in Chemistry at the 2 nd year of studies at the Jagiellonian University in Kraków. Research for her PhD thesis are being realised in the Environmental Technology Research Group, which is a part of the Chemical Technology Department. She is a member of this research group since 2014 and in 2015-2016 she carried out her master's thesis connected with the modification of MCM-41 by template ion-exchange method under supervision of prof. Lucjan Chmielarz. Her scientific interests are related to the synthesis, modification and catalytic functionalization of modern zeolite materials for the selected environmental processes.

Khalifa University of Science and Technology, Abu Dhabi, United Arab Emirates

Hydrocracking is a petrochemical process used to convert heavy chemicals or fuels into lighter and added value products. A wide range of feedstock starting from light naphthas to residual oil can be hydrocracked to produce lighter fuels. Accordingly, the hydrocracking operation conditions widely vary depending on the feed and the desired products. Nanomaterials, including zeolites and other metal supported catalysts, are perceived to be critical and effective catalysts in such petrochemical processes. The development of zeolites as catalysts in catalytic cracking caused a major breakthrough due to their superior activity, stability, and gasoline selectivity as compared to amorphous silica-alumina catalysts. Y-type zeolites having uniform crystal pore sizes, and strong Brønsted acidity arising from the bridging OH groups, are largely used as catalysts in industrial processes such as, hydrocracking, isomerization, and alkylation. The mesoporosity in the catalyst facilitates the mass transport to the active sites, lowering the creation of coke and simultaneously increasing the yield of useful products; thus proving the significance of structural properties of mesoporous zeolites in achieving high

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catalytic performance and activity. Carbon-zeolite composites seem to be interesting catalysts for hydrocracking; in which the required acidity is provided by the zeolite while the unique properties of nano carbon materials would enhance the catalyst properties. In this study, Ni-promoted catalysts having acidic supports were prepared and tested for hydrocracking. Ni was loaded, in 5 wt. %, using wet impregnation method on commercial zeolite-Y (CBV720) with and without graphene-oxide. The catalysts were characterized and tested for their performance in hydrocracking.

Roba Saab is a Mechanical Engineering PhD student at Khalifa University of Science and Technology in Abu Dhabi. She started her PhD studies in September 2017 after she had completed her Master's degree in Mechanical engineering at Masdar Institute, which is now part of Khalifa University. Her PhD is focused on the synthesis and characterization of novel catalysts for hydrocracking process, which is of relevance to the oil and gas sector. She published her research work in international journals and participated in various local and international conferences.

Instituto Nacional de Tecnologia - INT, Brazil

Shale gas sector 1 has been driving the renewed interest in the oxidative dehydrogenation reaction (ODH) of light alkanes, specially propane to propylene, which came along with new efforts in developing catalysts. An activated carbon, from sugarcane straw, was prior used 2 in catalyst formulation and was verified that even at very low surface vanadium density (0.5 to 1 V atom /nm2 ) a VPO-like phase can be formed, conferring catalyst`s activity. However, precursor species of a VPO like phase, prior to the reaction, turn into a bulk pyrophosphate VPO phase (V +4 ), detected after reaction, but with no more carbon present. The collapsed catalyst structure explained the observed deactivation. The formation of VPO phases on activated carbon (obtained from orange skin) was also observed in the literature 3, but with a long-term catalyst activity. Seeking a better understanding about the low oxidation resistance, while using activated carbon from sugarcane straw, three new vanadium-based catalyst were prepared but using MCM-41 as a reference carrier: VO X /MCM, VPO/MCM and VMgO/MCM. Structure, morphology and surface of the prepared catalyst were investigated by using well known techniques as for instance, Scanning Electron Microscopy and X ray Photoelectron Spectroscopy. Catalysts activity were probed in ODH reaction. Propylene selectivity was 15 -18%, at 30% conversion and 450 °C. The discussion is conducted in terms of acid-base relationship and the nature of surface species. The present work aims to evaluate the new insights gained with the new catalyst formulation to further apply it for the vanadium-based catalysts that uses activation carbon as support. 1 . E n e r g y P o l i c i e s o f I E A C o u n t r i e s . T h e U n i t e d S t a t e s , R e v i e w (2014).https://www.iea.org/publications/freepublications/publication/USA_2014.pdf2. Virgílio J.M. Ferreira Neto, Thiago S.B, Costa, Alexandre L. L. Magalhães, Alexandre B. Gaspar, Paulo G. Pries de Oliveira, Fabiana. M.T. Molecular Catalysis, In press, corrected proof, Available online 26 November 2017: https://doi.org/10.1016/j.mcat.2017.11.010.3. M. O. Guerrero-Pérez, J. M. Rosas, R. López-Medina, M. A. Bañares, J. Rodríguez-Mirasol, T. Cordero, Catalysis Communications 2011, 12(11), 989.

Fabiana Magalhães Teixeira Mendes has a fixed position as a researcher at Instituto Nacional de Tecnologia, Rio de Janeiro, Brazil, since 2009. Ph. D. in Chemical Engineer at Universidade Federal do Rio de Janeiro-UFRJ and was a Post-Doc at Fritz-Haber-Institut der Max-Planck-Gesellshaft, Berlin, Germany (2003-2005). She published two books about XPS. Among her activities, mainly in the catalysis field, she maintains a special interest in synthesis and characterization by using X ray photoelectron spectroscopy (XPS). Ongoing projects

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Biography

Oxidative Dehydrogenation Reaction of Propane: Developing Catalysts Containing VOX, VPO and MgO Phases Supported on MCM-41 and Activated Carbon

Virgílio José Martins Ferreira Neto, Erika Batista Silveira, Alexandre Ferreira Young, Paulo Gustavo Pries de Oliveira and Fabiana Magalhães Teixeira Mendes*


include the use of activated carbon as a catalyst support for propane ODH, as well as for silver nanoparticles electrocatalysts for CO2 reduction.

1King Saud University, Saudi Arabia2 King Abdulaziz City for Science and Technology, Saudi Arabia3 Indian School of Mines, India

The dry reforming of methane reaction into syngas (H 2 and CO), is a potential candidate that deals with the dwindling energy resources and global warming challenges simultaneously. Syngas is known as the building block for petrochemical industry. An incipient wet impregnation method was used to prepare Ni supported on modified ? - Al2 O3 and calcined at 600 °C for 3 hr. The support modifiers are SiO2, TiO2 , MoO3, and ZrO2. Dry reforming of CH4 experiments over Ni/ ? -Al2 O3 +3%x catalysts (x= SiO2, TiO2 , MoO2 and ZrO2 ), were performed at 700°C for 420 min and at atmospheric pressure in a vertical stainless steel fixed-bed tubular reactor (9.1 mm i.d. and 0.3 m long). Prior to each test, the catalysts were activated under a continuous flow of H2 (20 ml/min) for 1 hr. at 600°C temperature. Experiments were done using a feed gas mixture (CH4 , CO2 and N2 ) at ratio 6/6/1 and the overall gas flow rate of 65ml/min (space velocity: 39000 ml (/h.g cat .) -1 ). The physicochemical properties of various obtained catalysts were assessed using XRD, TPD, TPR, BET, TGA and TEM techniques. The CH4 and CO2 conversions using different modifiers came in the order: SiO2 > ZrO2 > MoO3 > TiO2. The CH4 and CO2 conversions for SiO2 modified catalyst were 64% and 70%, respectively, while the CH4 and CO2 conversions for TiO2 modified catalyst were 35% and 38%, respectively. In all catalysts, the conversions of CO2 were higher than CH4. In the TGA analysis, the support modified with SiO 2 gave the lowest carbon formation and hence the best stability.

Ahmed S. Al-Fatesh: Associate Professor of Chemical Engineering, King Saud University, Riyadh, Saudi Arabia. Dr. Ahmed authored three USA registered patents and over 105 publications. He has extensive theoretical and experimental capabilities. He also gained research experience on catalyst characterization techniques: BET, XRD, TPR/TPD/TPO, TGA, FTIR, UV and Raman. He participated in a number of research projects in the area of catalyst development, syngas/hydrogen production, direct and indirect utilization of "Greenhouse gases" (CH4 & CO2) through reforming processes. Dr. Ahmed research interests include: heterogeneous catalysis, Nano-material synthesis, chemical reaction engineering, petrochemical industries, methane reforming processes, photo-catalytic reactions, ethylene production and production of acetic acid.

Boreskov Institute of Catalysis, Russia

Dimethoxymethane (DMM), as well as methanol, formaldehyde and dimethyl ether is an easy to synthesize oxygenated compound of C1 chemistry. It is worth emphasizing that DMM is a noncorrosive, nontoxic material with a wide scope of applications. The report discusses the feasibility of catalytic processes for the conversion of DMM into hydrogen gas and the C2-oxygenates. The results indicate:- the promise of the steam reforming of DMM to hydrogen-rich gas for fuel cell feeding. Bifunctional CuO-CeO2 /?- Al2 O3 catalyst containing on its surface both acidic and copper-based sites is active and selective for DMM steam reforming to hydrogen-rich gas with low (<1 vol.%) CO content. In particular, the catalyst provides for 100% DMM conversion with hydrogen

Performance behaviour of Ni catalysts supported on ?-Al2O3 modified with SiO2, TiO2, MoO3 & ZrO2 for Dry Reforming of Methane

Catalytic Conversions of Dimethoxymethane: Reactions and Catalysts

Ahmed Sadeq Al-Fatesh1*, Ahmed Aidid Ibrahim1, Samsudeen Olajide Kasim1, Anis HamzaFakeeha1, Ahmed Elhag1, Rasheed Arasheed2, Biswajit Chowdhury3 and Abdulaziz abagabas2

Sukhe Badmaev, Alexey Pechenkin, Vladimir Belyaev and Vladimir Sobyanin

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production rate of ~15.5 LH2 /(g cat ·h) at GHSV = 10,000 h ?1 and T = 300°C. - the possibility of a vapour-phase carbonylation of DMM on a different kind of solid acids. We found that the rate of the reaction increases with the strength of Bronsted acid sites according to the Bronsted-Evans-Polany-Semenov correlation. Of course, the use of DMM as a raw material for the production of other products is at an early stage. Further research is needed in this field.

I was born in China in the province of Inner Mongolia. I left school in 1998 and then entered the Tomsk State University. I carried out graduate work on oxidative catalytic coupling of methane to ethylene. I graduated from the University with an honors' diploma in 2003 and since I have been working in Novosibirsk at the Boreskov institute of catalysis (BIC) in the laboratory of catalytic processes in fuel cell. In 2007 I defended my PhD thesis on Dimethyl ether steam reforming to hydrogen-rich gas.

1Universidade de Lisboa, Portugal2Instituto Politécnico de Lisboa, Portugal

In spite of significant advances on the development of nanomaterials and their wide range of applications in nanotechnology, the design and synthesis of micro- and nanoscale materials with specific morphologies still faces challenges. Core-shell particles of micro- and nanoscale feature different chemical compositions on the surface and in the core region and exhibit improved properties as compared to their single-component counterparts, e.g. increased stability, unique magnetic, catalytic and optical properties. The application of green, simple, time- and energy-saving mechanochemical ball-milling synthetic procedures for the preparation of multifunctional dispersed materials, using cheap and available starting materials is reported. The prepared heterometallic dispersed composites are screened for the peroxidative oxidation of alcohols and alkanes, under mild conditions. Several parameters such as size, type and number of milling balls, reaction time (milling time) are evaluated. The influence of multiwalled carbon nanotubes (CNTs) and graphene oxide (GO) as additives are tested towards the optimization of the catalytic processes. A comparison with traditional wet approaches for the core-shell particles will be discussed to highlight advantages of mechanochemistry and its high energy efficiency. Financial support from the Fundação para a Ciência e a Tecnologia, Portugal (fellowship SFRH/BPD/90883/2012 to A.P.C.R., "Investigador 2013" contract and respective project IF/01270/2013/CP1163/CT0007" to M.N.K. and the AAC/02/SAICT/29778/2017 project) is acknowledged.

ELISABETE C.B.A. ALEGRIA got her Chemical Engineering degree (1998) from ISEL and her Ph.D (2006) from IST, University of Lisbon. She is Researcher at Centro de Química Estrutural (Coordination Chemistry and Catalysis Group) at IST. Adjunct Professor at the Chemical Engineering Department of ISEL from Polytechnic Institute of Lisbon. Young Researcher Prize awarded by the Portuguese Electrochemical Society (2004) and Research Diploma from Polytechnic Institute of Lisbon (2017 and 2018). E.C.B.A. Alegria authored 54 scientific papers, 4 patents, 2 book chapters, ca. 100 communications (17 oral), and supervised 1 PhD student and several Master (8) and non-graduated students (10). Her main research interests range over Coordination and Sustainable Chemistry, Homogeneous and Supported Catalysis, Green synthesis of metallic nanoparticles, Mechanochemistry (synthesis and catalysis) and Molecular Electrochemistry.

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Biography

Straightforward Synthesis of Core-Shell Composites and their Applications in Catalysis

Timely Template Free Synthesis of a High Silica Nano-Fau-Y for Catalytic Cracking Applications

Elisabete C.B.A. Alegria1,2,* Ana P.C. Ribeiro1, Maximilian N. Kopylovich1 and Armando J.L.Pombeiro 1

Hanin M. Radman a,b , Aasif A. Dabbawala a , Yasser Al Wahedi a , Gnana P. Singaravel b , Saeed Alhassan a ,


Stephane Morin b and Mikael Berthod b

Sangjae JEONG * , Mahshab SHERAZ , Ali ANUS 1 , Caroline Mercy Andrew SWAMIDOSS , Young-Min KIM and Seungdo KIM

aKhalifa university for science and technology, UAEb ADNOC refining research centre, ADNOC refining, UAE

In oil refining industry, FAU-Y zeolites are used for catalytic cracking reactions in major units such as Fluid Catalytic Cracking (FCC) and Hydrocrackers [1] [2] . Currently used zeolites have crystal size falling in micrometer range. The reduction in crystal size to nanometer range is believed to improve mass transfer and strongly impact catalyst activity/selectivity. However, preparation of nano-zeolites is very challenging. Nano-FAU-Y need to be synthesized with Si/Al ?2.2, below this value zeolite structure will collapse during the post treatment step of ion exchange [3] . Organic templates are commonly used to have such high Si/Al ratio, however they are expensive and mostly-non recyclable [4] [5] [6] . In the case where no organic template is used a lengthy synthesis procedure need to be carried out. In our research, we studied the impact of crystallization temperature and aging for the purpose of obtaining nano-FAU-Y while increasing Si/Al. An inorganic salt was used to further control the crystal size. In a period of 2-3 days a well crystalline FAU Y was produced with Si/Al ratio of 2.3 with crystal sizes starting from 70 to 300 nm as confirmed by XRD and SEM-EDX analyses. The synthesized nano-zeolites were tested in a microreactor for the conversion of n-butane at 550 o C, 3 bar and W/F of 3.4 Kg.mol -1 .s. Nano-FAU-Showed an 80% conversion in comparison to 40% in commercial zeolite (CBV-400, 2.5 Si/Al) having crystals of micrometer size. Thus confirming the impact of crystal size reduction on zeolites performance in cracking reactions.

Received Bachelor of science degree in chemical engineering in 2013 from Khalifa University of Science and Technology (KUST) . Continued graduate studies in 2016 and received Masters of science degree in chemical engineering. Thesis work involved preparation of Nano-zeolites for cracking applications following different methodologies. Worked as research scientist since 2014 in ADNOC refinery research centre in catalysis research section. Working experience is focused on catalysis and on zeolites synthesis, characterization and testing for cracking applications.

References:[1] M. Rigutto, "Cracking and hdyrocracking," in Zeolites and catalysis , 2010, p. 566.[2] "Chapter 6 : Chemisty of FCC," in Fluid catalytic cracking handbook-an expert guid to the practical operation, desing and optimization of FCC unit , 3rd edition ed., Elsevier, 2012.[3] W. Lutz, "Zeolite Y: Synthesis, Modification, and Properties-A Case Revisited,"Advances in Materials Science and Engineering, vol. 2014, p. 20, 2014.[4] J. Shi,Y. Wang,W. Yang, Yi Tang and Z. Xie, "Recent advances of pore systemconstruction in zeolite-catalyzed chemical industry processes," Royal society of chemistry, vol. 44, pp. 8877--8903, 2015.[5] H.Awala, J. Gilson, R. Retoux,P.Boullay,J.Goupil,V. Valtchev and S.Montova, "Template-free nanosized faujasite-type zeolites," Macmilla Publishers, 2015.[6] S.Mintova, J.Gilson and V. Valtchev, "Advances in nanosized zeolites," Nanoscale , vol. 5, pp. 6693-6703, 2013.

Hallym University, Republic of Korea

Recently, greenhouse gas (GHG) emissions and reductions are getting interest due to the climate change. 1,1,1,2-tetrafluoroethane (HFC-134a) is one of major GHGs in Kyoto Protocol (1997). HFC-134a is most popular

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Catalytic Pyrolysis and hydrolysis of 1,1,1,2-Tetrafluoroethane (HFC-134a) Using ?-Al2O3


substitute for CFCs and HCFCs and used for air conditioning systems. Catalytic pyrolysis of HFC-134a has advantages on low energy consumption compared to incineration or plasma treatment, feasibility for mobile treatment system. In this study, catalytic pyrolysis and hydrolysis of HFC-134a has been studied in lab scale reactor using ?- Al2O3. Conversion of HFC-134a and lifetime of ?- Al2O3 has been evaluated in different temperatures, flow rates and moisture contents. Catalytic pyrolysis and hydrolysis of HFC-134a were test with plug-flow reactor connected to online GC/MS. Over 90% conversion of HFC-134a was accomplished with reaction temperature of 600?. Duration of the catalyst showing conversion over 90% was decreasing exponentially with increasing flow rate of HFC-134a. The capacity of catalyst to treat HFC-134a was decreased with flow rate over 7ml-HFC-134a/min. With adding moisture as steam, the capacity of catalyst increased with increasing moisture content from 0 to 0.4 ml-H 2 O/min. Therefore, optimum operation condition for decomposing HFC-134a need to be investigated in consideration of energy consumption, capacity of catalyst.

AcknowledgementsThis research is financially supported by the Korea Ministry of Environment as Waste to Energy-Recycling Human Resource Development Project (YL-WE-17-001).

2008.03-2012.02: Bachelor's Degree, Dept. of Civil and Environmental Eng., Seoul National Univ.2012.03-2016.08: Ph.D, Dept. of Civil and Environmental Eng., Seoul National Univ. (Waste Management, especially landfill gas emissions) 2016.09-2018.02: Senior Researcher, Institute of Construction and Environmental Engineering, Seoul National Univ.2018.03 - present: Research Prof., Research Center of Climate Change and Energy, Hallym Univ. (GHG reduction - pyrolysis of refrigerants, biomass gasification).

École Polytechnique de Montréal, Canada

Microwave pyrolysis (MWP) of household waste in generation sites is an attractive opportunity to considerably reduce waste nuisance and its negative impact on the environment. While most gaseous and solid products are suitable enough for fossil gas and char substitution, pyrolytic oils are generally inadequate for direct integration into existing processes. In this study, the effect of calcium oxide as a catalyst for microwave pyrolysis reaction of paper cups is examined. The oil acidity is reduced by 54% when calcium oxide is present. The GCMS analysis shows that long chain sugars are substituted by lower molecular weight compounds and/or anhydrous sugars. Glycolaledehyde and 5-hydroxymethylfurfural production is catalysed by calcium oxide, which is in consistency with existing studies' findings. Lower carbon number chains replace higher ones. Acetic and propionic acids contents diminish by 30% and 65% respectively. And higher value chemicals were produced solely in calcium oxide catalysed pyrolysis such as glycolaldehyde. This compound did not appear in oil from non-catalytic reaction, and was produced with a mass content up to 12 wt% when CaO was present. Hence, pyrolytic oil could be used as a source of added-value chemicals. Calcium oxide is a cheap catalyst and the process modification consisted on simply adding quantities of it inside the pyrolysis compartment.

Soumaya Benzennou recently graduated PhD from Chemical Department of École Polytechnique of Montréal. I had the chance to work with Professor Jamal Chaouki on a challenging subject, knowingly the upgrading of oils from microwave pyrolysis of household waste. Our objective was to enhance the quality of oil without using sophisticated processes and catalysts. In this perspective, calcium oxide successfully catalysed pyrolysis of some components of household waste, namely paper cups and HDPE. Results of our studies were published in AIChE Journal about the effect of calcium oxide on kinetics of microwave pyrolysis, presented in i-CIPEC Conference, Tokyo, Japan (2016) about its effect on the quality of oils from HDPE, and other works are under revision for publication.

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Biography

Calcium Oxide Catalysed Microwave Pyrolysis of Paper Cups: Analysis of Oil Quality

Soumaya Benzennou*, Mai Abdelnaby Attia, Jean Philippe Laviolette and Jamal Chaouki


Experimental and Mechanistic Insights into Upgrading of Biomass-Derived Phenolic Compounds

Catalytic Conversion of Biomass Derived Molecules to Value Added Chemicals and Fuel Precursors

Gul Afreen* and Sreedevi Upadhyayula

Firdaus Parveen and Sreedevi Upadhyayula

Indian Institute of Technology Delhi, India

Liquid bio-oil formed from pyrolysis of lignocellulosic biomass needs further upgradation by C-C bond formation reaction between the phenolic compounds and small oxygenates to retain the maximum amount of carbon in the fuel range (C 10 -C 13 ), prior to hydrodeoxygenation step. In this contribution, the promising model alkylation reaction between iso-propanol and m-cresol were investigated using different zeolites like HZSM5, HBEA, HMCM22, HY, and ZnY as solid acid catalysts. Among all the catalysts, formation of thymol by C-alkylation was highly dominant over ZnY which has strong Lewis acid sites. Thymol was obtained as the major product of the reaction with 80% selectivity at highest m-cresol conversion of 91.6% at 250 °C for ZnY catalyst having strong Lewis acidity and moderate Bronsted acidity. Moreover, Density functional theory (DFT) approach was utilized to develop a molecular level understanding of the reaction mechanism. Zinc exchanged nanoporous FAU framework Y-type zeolite was chosen as a model solid acidic catalyst and the effect of metal loading on the reaction mechanism was investigated. The alkylation reaction was hypothesized to proceed competitively through two reaction pathways: stepwise and concerted mechanism. It was found that the formation of the surface iso-propoxide species (activation energy of 40.8 kcal/mol) was the rate-determining step. The O-alkylation was found to be energetically favored in both concerted as well as multistep pathway mechanism. However, the C-alkylated product with higher thermal stability was obtained to be thermodynamically controlled and predominant product in this reaction.

Currently Gul Afreen PhD on the topic "Catalytic upgradation of biomass-derived phenolic compounds" in Chemical Engineering Department, Indian Institute of Technology Delhi, India under supervision of Professor Sreedevi Upadhyayula. I have done M. Tech in Nanotechnology from Aligarh Muslim University, Aligarh and B.Tech in Biotechnology from Amity University, Lucknow, India. I secured the highest marks in my graduation which encouraged me to go for higher studies rather than securing a corporate job. My research interests include environmentally benign heterogeneous catalysis, petrochemical and refinery catalytic processes, catalytic manufacturing of fine chemicals in green chemistry route involving ionic liquids, biomass conversion to biofuels, kinetics and modeling of heterogeneous reactions. Currently, I have three published articles and one communicated article in renowned journals on my PhD topic.

Indian institute of Technology Delhi, India

Lignocellulosic biomass is composed of cellulose, hemicellulose and lignin. Cellulose is the major component of lignocellulosic biomass comprising 44%. Cellulose is made up of glucose units linked together by ?-1,4-glycosidic bonds. The two linear chains of cellulose fibril have inter and intra molecular hydrogen bonding that appears to be the bottleneck in the transformation of biomass to value added chemicals and fuel precursor. Ionic liquid having both chloro and sulphonic acid groups considers to be as enzyme mimicking catalyst for cellulose hydrolysis to glucose. The chloro groups breaks the inter and intra molecular hydrogen bonding whereas sulphonic acid group breaks the glycosidic bond. Glucose conversion to value added chemicals can be catalysed by catalyst having both Bronsted and Lewis acidity. Multifunctional ionic liquid having transition element as anion and organocatalyst are the promising catalyst for the biomass transformation to value added chemicals and fuel precursors. Density functional theory predicts the Bronsted and Lewis acidity trend of multifunctional ionic liquid and validated with the experimental proof. Reaction mechanism study of biomass derived glucose

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transformation to value added chemicals showed glucose isomerization to fructose is the rate limiting step.

Firdaus Parveen is currently working as research associate in the Department of Chemical Engineering IIT Delhi. She has synthesized various aza sugar based iminocyclitols, glycosidases inhibitors during her master's research project. She has also worked on conversion of biomass to second generation biofuels to solve the persisting problems of depletion of fossil fuels and global warming. She has deep insight knowledge of deducing the reaction mechanism with minimum energy pathway from quantum chemical calculations. She has published nine research papers in international journal with high impact factors. She has been awarded with Shastri Indo Canadian research award in 2017.

Biography


Synthesis of Ionic Liquid Grafted on Solid Support as Heterogeneous Catalyst for Transesterification of Yellow Grease to Biodiesel using Ethanol

Mechanistic Kinetics and Numerical Modelling for Crude Glycerol Autothermal Reforming to Syngas

Anshul Deedwania and Hussameldin Ibrahim*

Anita Odoom and Hussameldin Ibrahim*

University of Regina, Canada

Biodiesel is produced by transesterification of oils with alcohol in the presence of a suitable catalyst. Certain oils such as non-edible oil, waste cooking oil, yellow grease and brown grease contain high amount of free fatty acids (FFA) which can be converted to biodiesel in a 2-step process of esterification followed by transesterification. Esterification is done as the first step to convert free fatty acid to biodiesel using acid catalyst to stop saponification reaction from occurring followed by transesterification reaction using a base catalyst. In our present study, we have impregnated ionic liquid on the surface of a solid support (CaO, MgO, ZrO2 and SBA-15) followed by ion exchange with HSO4- and OH- to impart acidity and basicity respectively, to the catalyst. The prepared catalyst have been characterized using FTIR analysis, TGA measurement and BET surface area analysis. Furthermore, they have been screened and used in a batch reactor in a 2-step process of esterification followed by transesterification to convert yellow grease to biodiesel using ethanol. Effect of various reaction variables such as alcohol to oil molar ratio, catalyst amount, reaction temperature and pressure was investigated and optimized. The conversion of yellow grease to biodiesel was determined using gas chromatograph equipped with FID. Catalyst recyclability was also studied to determine the reusability of the catalyst. The esterification and transesterification kinetics for rate equation, rate constant, pre-exponential factor and activation energy was also determined.

Hussameldin Ibrahim is an Associate Professor in Industrial & Process Systems Engineering at the University of Regina. His overall research focus is on developing chemical and engineering solutions for the catalytic conversion of fossil- and biomass-derived CO2-assisted feedstocks to syngas, hydrogen, biofuels, bioenergy and fine chemicals. He also has expertise in process simulation and modeling for CO2 removal from various fossil fuel-based industrial sources, product development for CO2 generation, capture, utilization and storage. Also, having worked in an industrial research and product development setting on modular CO2 generation, capture, and utilization pilot and commercial plants, Ibrahim has hands-on experience in taking research from concept to pre-commercialization. He has published many peer-reviewed research papers in high-impact scientific journals and presented his work in many national and international conferences. He is the recipient of numerous prestigious awards for scholarly achievements and research excellence. Most notably, the Governor General's Gold Medal Award and the Paragon Award of Innovation in recognition of the scholarship of his research activities. Hussameldin has professional affiliations to the Association of Professional Engineering and Geoscientists of Saskatchewan (APEGS) and the Project Management Institute (PMI).


Hydrogen rich syngas production using a fixed bed reactor has been investigated by numerical modelling using MATLAB R2017a. Autothermal reforming is sub divided into three independent reactions namely steam reforming, total oxidation reaction and carbon dioxide methanation reaction. Mechanistic models (Eley Rideal and Langmuir Hinshelwood Hougen-Watson) were developed, validated and studied over 5% Ni/CeZrCa. The

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intrinsic kinetics data were obtained in the absence of mass and heat transfer limitations. Nonlinear regression was used to fit the data and estimate rate model parameters. Power law and Eley Ridel models were found to have an average absolute deviation of less than 15 %. For the numerical investigation, finite difference method was used in MATLAB and the reactor was ensured to be well mixed radially based on which we developed our own numerical approach. The terms of our model were discretized both implicitly. In this work, one-dimensional homogenous and heterogeneous models were solved and the results validated with the experimental one. Based on this, a 2- dimensional model (pseudohomogenous or heterogeneous) is studied further to extend this study. Parametric studies were performed on these models to analyze the effects of some parameters like velocity, pressure, temperature, and species mole fraction amongst others. The results obtained were validated and it shown good correlation with experimental values. Thus, the obtained kinetic and numerical model depicts the system under study.


A dynamic, two-dimensional heterogeneous reactor model is used to simulate the dry reforming of biogas - a naturally-occurring methane and carbon dioxide mixture produced by anaerobic decomposition. Kinetics of a novel contaminant-resistant in-house developed catalyst are used to describe the catalyst deactivation mechanism during biogas reforming. Transport processes and reaction rates are modeled at the catalyst particle level, and these effects are coupled to the larger reactor model. The reactor model is solved using the finite volume method on an unstructured mesh, and the complete simulation is written and performed in MATLAB. The performance of the simulation is first validated against industrial steam-methane reforming data available in literature, and the novel catalyst kinetics are then substituted into the simulation and validated against experimental data. Following this validation, the simulation is then used to understand the influences of different feed compositions and operating conditions on the temperature, pressure, and methane conversion observed in the reactor.


In this work, an optimization of hydrogen production from the auto thermal reforming of crude glycerol over metal oxide catalyst was carried out using the central composite design (CCD) of the response surface methodology (RSM). The feed forward architecture of the artificial neural network (ANN), which is known for its high quality prediction and data analysis, was also used in this study. The effect of process variables; namely the reaction temperature, the steam to carbon ratio, the crude glycerol flow rate, the oxygen to carbon ratio, the catalyst size and the catalyst weight on hydrogen production were investigated. The ability of the RSM in fitting useful quadratic polynomial models and ANN in learning linear and nonlinear examples based on the available data and predict similar output have necessitated their use and data from previous laboratory experiments especially those extracted from the products distribution graphs have been analyzed. Model results from the RSM based on p- values (?<0.05) suggested that reaction temperature, crude glycerol flow rate, steam to carbon (S/C) ratio and catalyst weight to be more significant than the other independent variables. It was also noted that optimum yield of hydrogen (0.60 mole) occurred at a process temperature of 650 oC, feed flow rate of 0.003 mole C/min, steam to carbon ratio (S/C) of 2.55 and catalyst weight of 0.081 g. The absolute average deviation (%AAD), R2 and root mean square error (RMSE) would be used for comparative analysis of the model precisions.

Dynamic Heterogeneous Reactor Modeling for the Dry Reforming of Biogas Using a Novel Contaminant-Resistant Catalyst

Modelling and Optimization of The Auto Thermal Reforming of Crude Glycerol Using Response Surface Methodology and Artificial Neural Networks

Michael Fabrik, Amgad Salama and Hussameldin Ibrahim*

Christian Nwosu and Hussameldin Ibrahim*

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Steam Methane Reforming Over Ni Based Catalyst Supported by Various Zeolites for Application in the Hydrogen Station

Application of Soil as a Low-Cost Solid Catalyst for Biodiesel Production

Ali Alizadeh Eslami 1,2 , Hyun Dong Kim 1,3 , Young Su Noh 1,3 , Hyun-Tae Song 1,2 , Nasim Ghaffari Saeidabad 1,2 and Dong Ju Moon 1,2 *

Yong-Ming Dai, Jia-Hao-Lin and Chiing-Chang Chen*

1Clean Energy Research Center, South Korea2Korea University of Science and Technology, South Korea3Korea University, South Korea

Hydrogen is primarily produced via the steam reforming of NG where at industrial scale the production costs are lower than other processes. Produced syngas (H 2 , CO) can be further purified to obtain Hydrogen or processed to value added chemicals. As an important component of the hydrogen economy, developing technologies on H 2 stations are essential for both combustion engines and the fuel cell powered vehicles (FCPVs). The SR process with high steam to carbon ratio requires high amount of heat input which is not economically desirable. On the other hand stoichiometric or lower S/C over Ni based catalysts, causes catalytic deactivation by severe coke formation. In this research, Ni based catalysts supported by various Zeolites: Ni/Y zeolite, Ni/ZSM-5 and Ni/? zeolite have been studied. All catalysts were synthesized by the impregnation method containing 10 wt% Ni loading. The synthesized catalysts before and after the reaction were characterized by SEM, TEM, XRD, XPS, N 2 -phyisoprtion, H 2 -TPR, NH 3 -TPD and TGA analysis techniques. The catalytic performance for steam methane reforming was carried out on a fixed bed reactor at severe reaction conditions for screening the prepared catalysts under: T=800 °C, P=8 bar, S/C=2.8 with GHSV of 35,000 h -1 . It was found that the Ni/Y zeolite catalyst showed higher catalytic activity and coke resistance than the others. The Ni/Y catalyst was further investigated to determine the influence of different process parameters on hydrogen yield through temperatures (650~800 °C), pressure= 1 and 8 bar, S/C= 2~4 and GHSV=5000~35000 h -1 .

Dong Ju Moon is a principle researcher at Clean Energy Research Center, Korea Institute Science and Technology (KIST) since 1989. He has been a faculty member as an adjunct professor of Department of Chemical and Bio-Engineering., Korea Univ. Since 2001. Additionally, he is Professor in UST- KIST School from 2004. He completed his Ph. D. at Korea University. In 1998. His research interests are mainly focused on the design of catalyst, reactor and process especially in the application of GTL-FPSO process for offshore clean fuel, Hydrogen station for FCPVs, and CO 2 catalytic conversion technology. Moon has contributed to 14 commercialized projects, applied/ filed 135 patents and published 142 papers.

National Taichung University of Education, Taiwan

A complete biodiesel technology chain, as the complex system engineering, covers several technical aspects, including the preparation of catalysts, transesterification, and oil source. We have carried out transesterification using the soils and as an inexpensive and environment friendly catalyst. The main composition of soil, are oxygen, silicon, aluminium, iron, titanium, calcium, sodium, magnemsium, etc. This study uses soils as a low-cost material to prepare the solid base catalyst with Li2CO3 as an activating agent through a solid state reaction for the biodiesel production. The catalysts are prepared using a simple solid- state reaction, mixing and well grinding constant amount of soil with different ratio of Li2CO3 calcined at 800 o C for 4 h. The soils were classified by relative dating methods, and the results showed that the transesterification effect was better in young soils. The reason was that soil contained a small amount of Na + and K + ions. The effects of the reaction variables, such as catalyst loading, the molar ratio of methanol to oil, and reaction time (conventional heating),

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are studied. Under the optimal reaction conditions of a methanol/oil molar ratio 30:1, a 2 wt% catalyst amount, and a reaction temperature 65 °C, this approach achieves a 99.1% biodiesel conversion rate. It is obvious that the use of soil can make the synthesized catalyst products much more cost-effective. Soil has the potential for use in commercializing a prepared catalyst because of its low cost, high yield, and easy control.

Chiing-Chang Chen is a Professor of National Taichung University of Education, Taichung, in Taiwan. He received his Ph.D. (1994) from the National Tsing Hua University (Taiwan). His main research interests: applied heterogeneous catalysis and photocatalysis to the solution of environmental problems, sustainable and green chemistry and environmental remediation. He reserved awards, Yen-Ping Shih Award, Journal of Taiwan Institute of Chemical Engineers (JTICE), 2014.

1Universidad Autónoma de Madrid, Spain2 Pennsylvania State University USA 3 Institute of Ceramics and Glass, Spain

This work evaluates the potential application of hexagonal boron nitride (h-BN) as catalyst for oxidation pollutants in water. h-BN is a structural analogue of graphene but exhibits higher chemical stability than these carbon material under harsh or prolonged oxidant conditions. These properties make BN a promising "metal-free catalyst" when hydroxyl radicals are involved in the reaction. Herein, the catalytic activity, efficiency in the H2O2 decomposition to radicals and long-term stability of commercial h-BN (SBET= 37 m2/g, dp=240 nm) have been assessed for the Catalytic Wet Peroxide Oxidation (CWPO) of phenolic wastewater. Phenol and 4-nitrophenol were the target pollutants in this study. The results showed that h-BN can efficiently decompose H2O2 (TOC removed is equal to H2O2 conversion) and it exhibited very high activity, with initial reaction rates (400 mgphenol·gcat-1·h- 1 and 700 mgnitrophenol· gcat-1·h-1) higher than those reported in the CWPO with metal-free carbon based catalysts. Interestingly, h-BN exhibited a predominant selectivity to catechol, which is a less toxic oxidation route than hydroquinone, usual in carbon-based catalysts. The thermal regeneration of the h-BN (at 350 °C for 12 h in air) keeps the catalyst activity without altering the selectivity. The characterization of the fresh, used and regenerated h-BN by TEM, TGA and Elemental Analysis pointed out that the main reason for deactivation was the formation of carbon deposits (oligomers). Further studies are now in progress to study the performance of h-BN in a continuous fixed-bed reactor, in which the side oligomerization reaction is expected to be inhibited.

Asuncion Quintanilla is an associate professor (2008) in the Chemical Engineering Department at the Universidad Autónoma de Madrid (Spain). Prior, she worked as pre-doctoral researcher at the Universidad Complutense de Madrid (2000-2002), assistant professor at the Universidad Autónoma de Madrid (2002-2006) and postdoctoral researcher at Delft University of Technology (2006-2008). Her main research activity is developed in the field of Environmental Engineering, from the catalyst design to the reactor engineering. Application is focused on Advanced Oxidation Technologies with particular emphasis on the development of novel catalysts (supported metal nanoparticles and carbon based catalysts), manufacturing of structured catalysts by 3D- printing technologies, reaction mechanism and kinetics and multiphase reactor modelling.

Biography

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Performance of Hexagonal Boron Nitride as Catalyst for Cwpo of Wastewater

Degradation Behaviours and Mechanism of Naproxen by Hybrid Tio2 Photocatalytic System with Process Component

Asuncion Quintanilla1*, Jaime Carbajo1, Jose A. Casas1, Yu Lei2, Mauricio Terrones2, Pilar Miranzo3, M. Isabel Osendi3 and Manuel Belmonte3


Heon Lee and Sang-Chul Jung *

Tatyana Kuchmenko, Vladimir Korchagin, Yevgenia Drozdova and Ruslan Umarkhanov

Sunchon National University, Republic of Korea

As the consumption of pharmaceuticals increases, the problems of environmental caused by unused and waste pharmaceuticals has recently been focused. Naproxen (NPX), which is been widely used as a nonsteroidal anti-inflammatory drug, and naproxen-based byproducts have detected in water and soil environmental. It is known that they can causegastrointestinal or renal effects to human and animals. In this work, the degradation of NPX was carried out by hybrid TiO 2 photocatalytic system with microwave and microwave discharged electrodeless lamp (MDEL). In addition, the hydrogen peroxide was added to enhance the degradation efficiency of NPX. The influences of microwave power intensity, initial concentration of NPX, the amount of hydrogen peroxide, and the combination process were evaluated. The intermediates during degradation of NPX were characterized by GC/MS analysis. According to the results, the microwave intensity was the most influential factor because it affected the UV light emitted from MDEL and can provide the energy to degrade NPX. As the amount of hydrogen peroxide increased in solution, the degradation rate of NPX became faster while the excessive hydrogen peroxide acted as a factor to decline degradation reaction. There was a synergic effect when the combination system which implemented all process was applied to degrade NPX. It was confirmed that the representative intermediates were 1-(6-methoxynaphthalene-2-yl) ethylhydroperoxide, 1-(6-methoxynaphtalen-2-yl) ethanone, and malic acid.

Sang-Chul Jung, Engineering Doctor (Ph.D.-engineering), now is a full professor of Environmental engineering, Sunchon National University. He got his B Sc in chemical engineering, M Sc in chemical engineering, Engineering Doctor's degree (Ph.D.) at Kyushu University. Currently Dr. Sang-Chul Jung' researches focus on the development of new preparative methods and the synthesis of environmental materials.

Voronezh State University of Engineering Technologies (VSUET), Russia

The work presents study results into the destruction of synthetic polymer films with addition of different iron salts and commercial additive d2w under the action of UV-radiation and calefaction. Highly sensitive gas analyzer - statistical 8-piezosensor based e-nose (Russia) has been used to evaluate speed and effectiveness of film destruction and possible environmental load. E-nose piezo-sensors are adjusted to diverse compounds and modified by polymer films of chromatographic and specific sorbents, and by high-capacity phases of carbon nanotubes. There has been studied influence of the oxidation catalyst nature, temperature, ultra-violet radiation, and polypropylene film processing time on the rate of volatile compounds emission. We have proposed new indices to assess differences in the degree of film destruction and in the nature of volatiles emitted. Priority of various factors and external conditions on the intensity of polypropylene films destruction is estimated. It is ascertained, under equal conditions great destruction intensity is typical of iron carboxylate films; whereas iron stearate films and above-mentioned additive d2w are equally degraded. UV-radiation has the greatest impact on film oxidation. Various organic compounds are ejected during destruction of all the studied samples. Their number depends on destruction conditions and on catalyst additive. Iron carboxylate films emit safer oxidation products, whereas iron stearate films release less hazardous ones. Iron stearate catalyst is most preferable in self-destroyed polymer films synthesis. Sensitivity and statistical conditions for the sorption of volatile compounds emitted from small polymer surfaces, fast time and analysis simplicity, all of these make e-nose indispensable for evaluating effectiveness of polymer oxidation.

Tatyana Kuchmenko, Advanced Doctor, RAS, Head of Physical and Analytical Chemistry Department, VSUET.

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Destruction Study of Polymer Films with Catalytic Additives by Volatile Products

Biography


Interests: development of portable gas analyzers and systems with chemical piezosensors-based e-nose, analysis methods of food products, non-food materials, environment objects, bio-samples for medical diagnostics. Vladimir Korchagin, Advanced Doctor, Head of Industrial Ecology, Chemical and Petrochemical Equipment Department. Interests: polymer production technologies development, including biodegradable ones. Yevgenia Drozdova, Assistant Lecturer, Physical and Analytical Chemistry Department, VSUET. Interests: design of polymer analysis methods using chemical piezo-sensors. Ruslan Umarkhanov, PhD, Assoc. Prof. of Physical and Analytical Chemistry Department, VSUET, Director of "Sensorika-Novii Technologii" Ltd., which manufactures exclusive piezosensors-based e-nose devices.

1School of Environmental Engineering, University of Seoul, Republic of Korea2Department of Environmental Engineering, Sunchon National University, Republic of Korea

Among the various methods of production of bio-energy, pyrolysis can produce bio-oil with high energy density from massive biomass resources. However, bio-oil cannot be used as a high-quality fuel oil owing to high oxygen and low hydrogen contents. Therefore, the quality of bio-oil should be improved to overcome its drawbacks. Recently, synthetic polymer materials such as polyethylene and polyproplyene are composed mainly of carbon and hydrogen so that they can fill a deficiency of hydrogen in biomass itself and reduce relative oxygen content when they are co-pyrolyzed with biomass. Therefore, catalytic copyrolysis is able to produce high-quality fuel components. Although numerous studies on catalytic pyrolysis of a variety of biomass or polymer materials have been performed, there are few studies on the improvement of bio-oil quality by catalytic copyrolysis using pretreated biomass. In this study, torrefied cellulose, waste biomass, sulfuric acid-pretreated and alkali-pretreated biomass were copyrolyzed with polymer (PP) using various kinds of zeolities for the first time. Especially, torrefaction pretreatment of cellulose led to a higher aromatic yield upon catalytic copyrolysis. This was attributed to the breakage of glycosidic bond in cellulose due to torrefaction, allowing a change into an open chain structure, which makes the reactions of cellulose on the acid sites of zeolite catalyst easier, resulting in an increased aromatic yield. Among various kinds of catalysts, HZSM-5 (30), which had the largest number of acid sites, led to the highest aromatic yield because the conversion of cracking products of cellulose to aromatics took place on the acid sites.

Young-Kwon Park received his B.S., M.S., and Ph.D. from the Chemical Engineering of Korea Advanced Institute of Science and Technology in 1992, 1994, and 1999, respectively. Then Park worked at Industrial Technology Institute of Hyundai Heavy Industries as a senior researcher. Since 2002, Park has been employed as a Professor in the School of Environmental Engineering of The University of Seoul, Korea. His current research interests include nanoparticle preparation, environmental catalysis and catalytic process for renewable energy.

1Public Authority of Applied Education and Training, Kuwait2Kuwait University, Kuwait3Minia University, Egypt

In this study, we report the synthesis of chromium oxide nanoparticles, ? -Cr 2 O 3 NPs, and aluminum oxide nanoparticles ?- Al 2 O 3 NPs, followed by full characterization via XRD, SEM, XPS, N 2 sorptiometry and TEM.

Catalytic Co-Pyrolysis of Biopolymer and Synthetic Polymer over Various Kinds of Zeolites

Catalytic CO Oxidation on Supported and Unsupported Chromia and Alumina Nanoparticles

Young-Kwon Park1,* Se Young Park1, Jaehoon Jeong1, Su Min Ryu1 and Sang-Chul Jung2

Asma A.Ali1*, Ahmed Abdel Nazeer2, Metwally Madkour2, Mohamed I. Zaki3 and Fakhreia Al Sagheer2

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The results revealed that the ? -Cr 2 O 3 NPs are cubic in shape while ?- Al 2 O 3 NPs are semispherical with small particle sizes and relatively high surface areas. The Surface area values observed for Cr 2 O 3 and Al 2 O 3 are 147.3 and 28.3 m 2 /g, respectively. Also the synthesized nanoparticles were supported on reduced graphene oxide. The synthesized nanocatalysts will be tested for CO oxidation measurements which may provide effective and economic solutions to overcome one of the major environmental threats. Moreover, the effect of surface area and morphology on the catalytic activity will be investigated.

Acknowledgment: The authors gratefully acknowledge the support of Kuwait Foundation for the Advancement of Sciences (KFAS) under project code: PN17-14SC-01. Special thanks to RSPU, Kuwait University Facilities No. (GS 01/01, GS 01/05, GS 02/01, and GS 03/01).

Asma Ali, received her PhD in Chemistry from Kuwait University (2010). She has worked as Teaching Assistant of Chemistry at Nuclear Medicine Department, College of Medicine, (2000 till 2004). She worked as Teaching Assistant at Chemistry Department, College of Science, Kuwait University (2004 till 2014). Her current job is Assistant Professor at Science Department, Faculty of Basic Education, Public Authority of Applied Education and Training (2014 till present). She is the author of 6 scientific papers in SCI journals. Her main research interests are in the design, synthesis and characterization of nanoparticles and hybrid nanomaterials based on inorganic nanoparticles and polymers for CO oxidation, Capacitors, Catalysis and Photocatalysis.

1Charles University in Prague, Czech Republic

Mass spectrometry is an excellent method for quantification and structural elucidation of analytes at trace concentrations. MS applications are usable not only for the detection of major products, but also sophisticated tools providing a broad perspective in study of reaction mechanism. Oxorhenium(V) complexes are of current interest in many fields of science including material and industrial chemistry. Electrospray ionization, atmospheric pressure photoionization, and laser desorption/ionization mass spectra of the complexes showed abundant negatively charged molecular anions and low fragmentation. Calculated similarity indexes showed significant conformity between the computed and experimental isotopic patterns of selected ions and confirmed correct assignment of elemental composition to m/z values. Electrospray tandem mass spectrometry provided essential information about fragments from molecular ions of studied complexes, making it possible to distinguish among fragment ions and the ions arising from compounds present in the reaction mixture. Based on the results, mass spectrometry utilizing soft common ionization techniques is useful for monitoring complex formation reaction kinetics and the stabilities of the complexes. Representative spectra were recorded for micromolar concentrations of the analytes. Redox activity of rhenium complexes was also studied by fragmentation experiments using collision induce dissociation. [1-4]

[1] M. Sticha, I. Jelinek, J. Polakova, D. Kaliba, Analytical Letters 48 (2015) 2329-2342[2] D. Kaliba, M. Sticha, I. Jelinek, Transit Met Chem (2017). doi:10.1007/s11243-017-0124-1[3] M. Sticha, D. Kaliba, I. Jelinek, J. Polakova, Chemical Papers 71 (2017) 819-830[4] D.Kaliba, M. Sticha, I. Jelinek, J. Polakova, J. Radová, Monatshefte fur Chemie 148 (2017)1619-1624

Cochin University of Science and Technology, India

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Biography

Application of a High-Resolution Mass Spectrometry and CID in Analysis of Selected Rhenium Complexes

TiO2 /Graphene Hybrids as Photocatalytic Self-Cleaning Smart Surfaces

Martin Sticha1*, Ivan Jelinek1, Mikulas Vlk1

Nisha T. P. and Honey John *


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Ever-increasing demand for self-disinfecting, uncontaminated, unpolluted and hygienic surfaces now-a-days has led to the development of self-cleaning surfaces and coatings. This Lotus leaf-inspired nanotechnology finds wide applications on glass windows, textiles, paints, and on high performance optoelectronic devices like solar panels, green houses, flat panel displays, etc. The major requirements of a superhydrophilic self-cleaning coating material is that it should have high photocatalytic activity to degrade the organic pollutants along with a superior anti-bacterial property, photoinduced superhydrophilicity to sheet water for cleaning the surface by washing off the degraded pollutants, good optical transparency, photostability and durability. TiO2 (titanium dioxide), a promising candidate among photocatalytic semiconductor metal oxides, are synthesized using a hydrothermally modified sol-gel method under varying acidic pH conditions. Optimized TiO2 nanocrsytal is found to have ellipsoidal morphologies with larger percentage of exposed high energy {001} and {010}/{100} facets with better photocatalytic activity. However, the photocatalytic and superhydrophilic behavior of TiO2 nanoparticles alone is very low due to limited optical response to UV light and faster recombination rate. Graphene can act as a good scavenger for electrons which retards the bulk and surface recombination of photogenerated excitons during photoexcitation of TiO2. The binary hybrid of TiO2 with rGO (reduced graphene oxide) are synthesized by hydrothermal method. Nanocoatings of synthesized hybrids are thus fabricated on glass substrate by spin-coating techniques for analyzing its self-cleaning behavior by studying its photodegradation, contact angle measurements, anti-fouling property, and photostablilty. It is found that graphene has stronger adsorption ability for dye molecules and has high electron mobility along with photogenerated charge separation, and hence favours the superior self-cleaning behaviour for the hybrid.

Nisha T. P., currently a Senior Research Fellow under Council of Scientific and Industrial Research (CSIR), India, have joined the Department of Polymer Science and Rubber Technology, Cochin University of Science and Rubber Technology, Kerala, India, in April 2015. Her current research area is on tailoring of exposed percentage of crystal facets of TiO 2 and its hybrids with graphene and other graphene-like monolayers for enhanced photocatalytic activity, superhydrophilicity, antireflective activity and thereby developing self-cleaning surfaces and coatings.

National Institute of Technology, Rourkela, India

A facile chemical synthetic route has been demonstrated for the synthesis of copper oxide nanoparticles decorated phosphate functionalized graphene oxide in water-isopropanol system. The synthesized nanocomposite has been used as an efficient and active candidate for the synthesis of ?-Amino Carbonyl Compounds via a green ultrasonic synthetic route. The structural properties of the samples were investigated by means of a number of sophisticated characterisation techniques like X-ray diffraction (XRD), FT-IR spectroscopy, High Resolution Transmission Electron Microscope (HRTEM), X-ray photoelectron spectroscopy (XPS) analysis, N2 adsorption-desorption measurements, Ammonia temperature programmed desorption analysis (NH3-TPD) and Raman spectroscopy. HRTEM analysis confirmed the presence of spherical CuO nanoparticles distributed uniformly throughout the PGO surface. XPS analysis demonstrates the successful synthesis and incorporation of CuO nanoparticles on PGO surface. The higher surface area (162 m2/g) of our nanocatalyst (PGO-CuO) as compared to parent material (GO) was confirmed from N2 adsorption-desorption isotherms. The presence of acidic groups on PGO-CuO which play an essential parameter for catalytic activity were explored by NH3-TPD and pyridine adsorbed IR analysis. A high product yield (95%) has obtained with in less reaction time (15 min) under sonochemical route which shows the superior catalytic activity of our designed catalyst as compared to other reported catalysts. The nanocatalyst has various advantages such as high catalytic activity and good recyclability which are the essential parameters for a potentially applicable heterogeneous catalyst for the synthesis of important organic compounds.

Ultrasonic-Assisted Green Synthesis of ?-Amino Carbonyl Compounds by Copper Oxide Nanoparticles Decorated Phosphate Functionalized Graphene Oxide Via Mannich Reaction

L. Satish K. Achary, Bapun Barik, Pratap S. Nayak, Aniket Kumar and Priyabrat Dash*


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Corresponding author: Priyabrat Dash is currently working as Associate Professor in the Department of Chemistry, NIT Rourkela, India. He obtained his M.Sc. in Chemistry from Utkal University and M.Tech in Materials Science from IIT Bombay, India. In 2010, he received his Ph.D. in Chemistry from the Department of Chemistry, University of Saskatchewan, Canada, followed by Postdoctoral fellowship at University of Ottawa, Canada. His research interests include rational design of highly active and selective nanocatalysts, ultrasensitive solid-state sensors, and porous materials for water purification. Presenter: L. S. K. Achary is a Ph.D. student in the Department of Chemistry, NIT Rourkela, India. His research interests include graphene oxide based heterogeneous catalysis and solid state gas sensor.

Organophosphate insecticides are persistent organic pollutants that have a variety of adverse impacts in several environmental compartments. An example of such pesticides is known as profenofos. The photodegradation of profenofos in water, was studied in the presence and absence of two catalysts, a silver (Ag)-Platinum (Pt) doped zeolite clay (Pt-Ag zeolite) and desert dune sand collected from the emirate of Sharjah, under mid- and high energy: 302 and 254 nm, respectively. The results of the study showed that the fastest degradation of profenofos occurred in the presence of Pt-Ag zeolite at 302 nm, achieving 42 % degradation in 60 minutes. The degradation products were identified using gas chromatography-mass spectrometry. The toxicity of the degradation products was assessed by exposure experiments of Drosophila melanogaster. The results of the exposure experiments showed that degradation resulted in overall less toxic products within the first 30 minutes of the degradation process, followed by an overall increase in toxicity after 30minutes of UV exposure. The present work provides a treatment technique for the effective and adequate removal of profenofos from water sources to mitigate its effects in the environment.

Fatin Samara is an Associate Professor of Environmental Sciences at the American University of Sharjah, United Arab Emirates. Dr. Samara has a PhD in Chemistry from the State University of New York-Buffalo, NY, USA and did her post-doctoral work at the Environmental Protection Agency in Research Triangle Park, North Carolina, USA. Her current areas of teaching interest are environmental sciences, environmental chemistry, soil chemistry, climate change and toxicology. Her areas of research interest include quantification, toxicology assessment, degradation, and removal of persistent organic pollutants and heavy metals in the environment.

University of Nottingham, China

Among the eminent environmental contaminants belong methyl tert-butyl ether (MTBE). MTBE is volatile, flammable, colourless polar compound well soluble in the water. Because of MTBE's low density, groundwater can be easily contaminated [1]. The process of removing MTBE from water presents a challenge

Catalytic Photodegradation of Organophosphate Insecticide Profenofos

Mn/Co Binary Metal Catalysts Supported on Two Commercial Diatomaceous Earths for Benzene Oxidation

Photocatalytic Degradation of Methyl-Tert-Butyl-Ether (Mtbe) from Waste Water Using Photocatalysts Based on Titanium Dioxide

Fatin Samara *, Fares Feghaly* and Sofian Kanan

Jun He

Marcel Šihor*, Lenka Mat?jová, Martin Reli, Kv?toslava Hrádková, Kamila Ko?í VŠB - Technical University of Ostrava, Czech Republic


due to the concentration of the contaminant reaching only the threshold values. One way of removing MTBE from water is its photocatalytic decomposition under UV irradiation on semiconductor photocatalysts. The hydroxyl radical formation is a major advantage of photocatalysis. These radicals are capable of very fast oxidation of organic compound. Compared to conventional methods such as air stripping and activated carbon, the hydroxyl radicals are capable of oxidizing a number of organic toxic compounds to non-toxic chemicals, such as water or carbon dioxide. Just because of it, the suspension of titanium dioxide nanoparticles under UV radiation was used for photocatalytic degradation of MTBE in the study. TiO 2 photocatalysts were prepared by different methods and their effect on photocatalysis was evaluated. The photocatalysts were characterized by a number of methods. The non-commercial batch photoreactor was used for degradation of MTBE both with and without the photocatalyst. The 8W UV lamp (? = 254 and 365nm) was used for the irradiation of the solution. The efficiency of operating parameters, such as photocatalyst loading and UV light intensity, on the degradation process of MTBE in aqueous solution, was subsequently analysed.

[1] Z. S. Seddigi, S. A. Ahmed, A. Bumajdad, M. A. Gonadal, E. Y. Danish, A. M. Shawky, N. H. Yarkandi, Desalination and Water Treatment, (2015), p. 1 Acknowledgements: This work was supported by EU structural funding in O p e r a t i o n a l P r o g r a m m e R e s e a r c h , D e v e l o p m e n t a n d E d u c a t i o n , p r o j e c t N o . CZ.02.1.01/0.0/0.0/16_019/0000853 "IET-ER" and by Ministry of Trade and Industry of the Czech Republic (projects OP BIC No. CZ.01.1.02/0.0/0.0/16_084/0010305).

Aalborg University, Denmark

In the context of increasing food waste and sustainable resource management, the abatement of the plant hormone ethylene (C2H4), which triggers and accelerates ripening, from packaging and/or storage facilities of perishable produce has received attention during the last decades. The photocatalytic oxidation of C2H4 over immobilized TiO2 is one of the solutions researchers have been looking into. The current study experimentally analyses this process in a batch reactor with the purpose of deriving its reaction kinetics and their dependence on the UV irradiation incident on the catalyst. The resulting reaction kinetics are then implemented in a Computational Fluid Dynamics (CFD) simulation of the reactor. The experiments are conducted at varying concentrations, under two regimes - low and high C2H4 concentration regimes, ranging from 13 to 350 ppm. The experimental data can be fitted to the Langmuir-Hinshelwood model, widely used for these reaction types, however it was observed that a zero order rate law gives a better fit. To derive a mathematical dependence of kinetics on UV irradiance, experiments are conducted at varying values of irradiance, from 5 to 90 W/m2 . Based on the results, the relation can be assumed to be linear, where increasing irradiance speeds up the reaction, up to a limit dictated by the catalyst. Similarly, the effect of relative humidity is investigated, showing that its increase decreases the reaction rate, due to the competition between H2O and C2H4 molecules for the active sites of the catalyst.

Rodica received the M.Sc. degree in Thermal Energy and Process Engineering from Aalborg University, Aalborg, Denmark, in 2016, where she is currently working towards the Ph.D. degree in Fluid Dynamics. She is doing research on the development and simulation of a novel photocatalytic reactor for ethylene degradation, with main application in the food industry.

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Biography

Kinetic Analysis of the Photocatalytic Degradation of Ethylene over TiO2 Thin Films in a Batch Reactor

Tuning of Gas Diffusion Layer by CNx Intermediate Film for Higher Performance in Proton Exchange Membrane Fuel Cell

Rodica-Elisabeta Stroe* and Lasse Aistrup Rosendahl

J. Novakova *, M. Dubau, S. Fuka, A. Ostroverkh, E. Lobko, T. Duchon, K. Veltruska, M.


Vorokhta, V. Potin and I. Matolinova

Pradeep Kumar Yadav and Taraknath Das*

1Charles University, Czech Republic2CNRS - Université de Bourgogne, France

Commercially available catalyst support, known as a gas diffusion layer (GDL), was modified by using nitrated carbonaceous intermediate film (CNx) and platinum doped cerium oxide catalytic layer (Pt-CeOx ) prepared by magnetron sputtering. Examination of morphology and structure of catalyst straight away the preparation by Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) techniques gave us possibility to tune the surface area of catalytic structure. By suitable conditions and parameters of the Pt-CeOx catalytic layers preparation by magnetron sputtering, as residual pressure of oxygen in the sputtering chamber, time and rate of deposition and platinum concentration the extremely porous Pt-CeO x /CNx /GDL system is obtained. Complementary spectroscopy techniques such as EELS and XPS reveal important role of nitrogen in nitrated carbonaceous films during the magnetron sputtering of Pt-CeOx layer. Such prepared catalyst was tested as an anode in proton exchange membrane fuel cell (PEMFC) with specific power several time higher than for unenhanced catalyst support and/or commercial anode.

Jaroslava NOVAKOVA received her PhD degree from the University of Burgundy in Dijon and the Charles University in Prague in 2016. Since 2016 she is a researcher at the Charles University in Prague in Nanomaterials Group. Her research activity is in the field of nano-structured materials studied by electron microscopy techniques including Scanning Electron Microscopy, Focused Ion Beam, and Transmission Electron Microscopy with complementary spectroscopy techniques such as Energy Dispersive Spectroscopy and Electron Energy Loss Spectroscopy. Her research field concerns materials for fuel cells, gas sensors and biological application. She is author or co-author of 20 publication with h-index 7.

Indian Institute of Technology Roorkee, India.

In this work 40LaNi 0.75 Fe x M 0.25-X O3/SiO2 (M=Fe, Ce, Zr) perovskite-type oxide derived catalysts were synthesized, characterized and studied for the catalytic activity in dry reforming of methane reaction (DRM). The effect of Fe, Ce and Zr promoters was investigated. The catalysts were synthesized by using sol-gel method. Various Characterization techniques were applied to characterize the properties of synthesized catalysts including Brunauer-Emmett-Teller (BET), X-ray diffraction (XRD), H2 temperature programmed reduction (H2 -TPR), Scanning Electron Microscopy (FE-SEM), Fourier-transformed infrared spectroscopy (FTIR) and Raman spectroscopy. The characterization results demonstrated that the perovskite-type oxide derived catalysts possessed a uniform dispersion of nickel. The addition of promoters (Fe, Ce and Zr) remarkably was increased the dispersion of metal, improve the coke resistance and enhanced the conversion of dry reforming of methane reaction. The most active catalyst was found to be 40LaNi 0.75 Fe 0.10 Zr 0.15 O3 /SiO2 for the dry reforming of methane reaction at 1073 K.Keywords: synthesis gas, dry reforming of methane, LaNiFe/SiO2 catalysts, Ce, Zr promoters, Raman, and XRD.

Pradeep Kumar Yadav is working as a Doctoral Research scholar at Indian Institute Technology Roorkee since July 2015. He did his Masters in chemical engineering from Indian Institute Technology Madras in the year 2014 and He did his graduation from Bundelkhand Institute of Engineering and Technology Jhansi in the year 2012.

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Production of Hydrogen via CO2 Dry Reforming of Methane over 40LaNi 0.75 Fe x M 0.25-X O3 /SiO2 (M=Ce, Zr) Perovskite Oxide Catalyst


Spectroscopic Investigation of Anchored Vanadium Acetylacetonate on Reduced Graphene Oxide through Silane Coupling and Diazonium Chemistry with High Catalytic Activity

Silver @ Copper Bimetallic Nanoparticles: Seedless Synthesis, Characterization and Catalytic Degradation of Toxic Dye

Jemini Jose and Sreeja P B *

Shaeel Ahmad Al-Thabaitia*, Wafa Shamsan Al-Arjanb* and Salma Ahmed Al-Zahranic

CHRIST, India

In this work, we illustrated the synthesis of anchored vanadium acetylacetonate on reduced graphene oxide via silane and diazonium coupling through covalent functionalization. The successful anchoring of vanadium acetylacetonate, reduced graphene oxide with trimethoxysilyl propanamine (TMSPA) and phenyl azo salicylaldehyde was confirmed by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) analyses. We also promoted the usage of these anchored compounds as a catalyst for the degradation of methylene blue. The comparative study of the pure reduced graphene oxide and hybrid-reduced graphene oxide compounds in the degradation of methylene blue showed that the anchored compound exhibited a rapid and higher catalytic activity than the pure graphene sheets.Keywords: anchored compound, photocatalyst, hybrid, degradation,functionalizaationReferences:[1] R. Udayabhaskar, R.V. Mangalaraja, T. Pandiyarajan, B. Karthikeyan, H.D. Mansilla, D. Contreras, Spectroscopic investigation on graphene-copper nanocomposites with strong UV emission and high catalytic activity, Carbon. 124 (2017) 256-262.[2] N.N.T. Ton, A.T.N. Dao, K. Kato, T. Ikenaga, D.X. Trinh, T. Taniike, One-pot synthesis of TiO2/graphene nanocomposites for excellent visible light photocatalysis based on chemical exfoliation method, Carbon. 133 (2018) 109-117.

aKing Abdulaziz University, Saudi ArabiabKing Faisal University, Saudi ArabiacUniversity of Hail, Saudi Arabia

Cationic and anionic surfactants such as cetyltrimethylammonium bromide (CTAB) and sodium dodecyl sulfate (SDS) were used as a soft template to the seedless synthesis of silver@copper bimetallic nanoparticles. The subsequent addition of reactants (ascorbic acid, Ag + , Cu 2+ and surfactants solutions), leads to the formation of prefect transparent pale yellow color with in 5 min at ca. 409 nm. The visual observations and UV-visible spectra reveal that the color (pale yellow, dark brown, and wine red), surface resonance plasmon (SRP) intensity and shape of the spectra depends on the Ag + /Cu 2+ molar ratio, [CTAB], and reaction time. Sub-, post- and dilution micellar effects are accountable to the fast and slow nucleation and growth processes. The morphology and SRP and rate constants for the formation of silver@copper decreases with increasing [CTAB]. The typical optical properties were dominated by the silver metal. The absence of SRP peaks at ca. 425 nm, 590 nm and 800 nm ruled out the possibility to the formation of AgNPs, CuNPs and CuO, respectively. Transmission electron microscopy (TEM) also confirms the formation of silver@copper nanoparticles. The as prepared bimetallic nanoparticles was used as a catalyst to the degradation of methyl orange, The various parameters associated with the dye degradation (pseudo-first order rate constants, activation energy, enthalpy of activation and entropy of activation) were calculated and discussed. The mole fraction of XAg = 0.50 and XCu = 0.499 were calculated in [email protected] words: silver@copper ; Nanoparticles; CTAB; SDS; Mole fraction

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Autodisplay of an Amylase from Bacillus megaterium in E. coli Whole Cell for Starch Degradation and its Application on Biofuels Production

Effect of Surface Treatment on Water Absorption Kinetics of Natural Fibers and Their Reinforced Polymer Composites

Alejandro S. Limón, Ana K. Gutiérrez, José Salas and Antonio De León Rodríguez*

Kajal Mishra* and Shishir Sinha

Instituto Potosino de Investigación Científ ica y Tecnológica, México

The goal of this work was the use of autodisplay AIDA system from Escherichia coli to express on the bacterial surface the alpha amylse from Bacillus megaterium to carry out whole cell biocatalysts and hydrolysate starch in E. coli. For this, pAIDA-Aamy vector was designed and constructed guided by the preferred codons to be expressed in E. coli. Molecular construction was confirmed by restruction assay and DNA sequencing. Then TOP10 cells were transformed and enzyme activity was performed using starch as substrate in agar plates. The optimal conditions for the biocatalyzator were temperature of 55°C and pH 8. Results demonstrate that the designed pAIDA-Aamy vector has the ability to express active alpha amylase to carry out whole cell biocatalysis. Biocatalyzator can be used hydrolysate starch for several biotechnological applications such as biofuel production.Acknowldegments: Partial funding through the Grants CONACyT 281700 and CONACyT-SENER CEMIE-Bio 249564.

Antonio De León Rodríguez's bachelor of Science studies was on Chemical Science and he got the award "To the best student of Mexico". He studied a Master in Biotechnology at National Autonomous University of Mexico, on the recombinant protein expression, and obtained the degree with honors and the award for "The best thesis on engineering " by the Mexican Academy of Engineering. PhD was made in the same Institution, on culture of human hematopoietic cells in bioreactors and received the prize "Alfonso Caso" for his doctoral thesis. He performed an academic stay in the Department of Genetics at the University of Cambridge, UK.

Indian Institute of Technology, Roorkee, India

Academicians and researchers are looking for sustainable and environment friendly materials which can overcome existing environmental issues. Natural fibers are a very attractive option to replace the existing synthetic fibers due to their easy availability, cost, lightweight and sustainable nature. From last decade substantial amount of research has been carried out on natural fibers and their reinforced polymer composites. The one issues which has been creating problems between compatibility of natural fibers and polymer matrix is, hydrophilic nature of these lignocellulosic which is an unwanted property to have a better adhesion and improved quality composites. This article deals with water absorption of different fibers and their reinforced polymer matrix. Fibers have been treated chemically to improve the water absorption behavior and to improve the compatibility with polymer matrix. Fick's second law has been applied to calculate the diffusion coefficient in different cases. A comprehensive review of different surface treatments, kinetic parameters, water absorption curves of fibers and their composites and diffusion coefficients have been presented.

Kajal Mishra is a research scholar working in the field of natural fiber reinforced polymer composites in Chemical Engineering Department IIT Roorkee, India. She has done her masters from Indraprastha University, Delhi, India. Also, worked on a 6 months project work from IIT, BHU on plastic degradation by using biodegradable polymers. In her B. tech from Jaypee University of Engineering and Technology, Guna, M.P, India she has done 1-year design project work on Production of Polymethylmethacrylate (PMMA).

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