ucr-2013-presentation sent to doe library/events/2013/hbcu-ucr/ucr-2013...task1. development of a...
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Hamid ArastoopourLinden Professor of Engineering and Director ofWanger Institute for Sustainable Energy Research (WISER)Illinois Institute of Technology, Chicago, IL
Prof. Hamid Arastoopour (PI) Prof. Javad Abbasian (Co‐PI) Emad Abbasi (PhD Candidate) Shahin Zarghami (PhD Candidate) Emad Ghadirian (PhD Student) Jaya Singh (PhD Student)
The overall objective of the program is to develop aComputational Fluid Dynamic (CFD) model and toperform CFD simulations to describe theheterogeneous gas-solid absorption andregeneration and WGS reactions in the context ofmultiphase CFD for a regenerative magnesiumoxide-based (MgO-based) process for simultaneousremoval of CO2 and enhancement of H2 productionin coal gasification processes.
3
The Project consists of the following four (4) tasks:
Task1. Development of a CFD/PBE model accounting for the particle(sorbent) porosity distribution and of a numerical technique tosolve the CFD/PBE model.
Task2. Determination of the key parameters of the absorption and regeneration and WGS reactions.
Task3. CFD simulations of the regenerative carbon dioxide removal process.
Task4. Development of preliminary base case design for scale up
WGS Reaction
CO2Removal
Fuel Gas
CO2
Conventional
WGS Reaction &
CO2 Removal
Fuel Gas
CO2
T: 350°-500°CP: 10-70 bar
Integrated
Concentrated Hydrogen Stream
Hydrogen Polishing
Fuel Cells, Transportation
Impurities
Chemical Syn./ Liquid Fuels
Concentrated Hydrogen Stream
WGS Reaction &
CO2 Removal
CO + H2O CO2 + H2
XO + CO2 XCO3
Clean Coal Gas
Concentrated Hydrogen Stream
Sorbent Regeneration
XCO3 XO + CO2
CO2
XO make up
8
0
2
4
6
8
10
12
14
0 0.1 0.2 0.3 0.4 0.5
CO
2C
apac
ity, g
of c
o2/1
00 g
of s
orbe
nt
K/Mg Molar ratio
0.5 M K2CO3
0.7 M K2CO3
1 M K2CO3
2 M K2CO3
Preparation Parameters HD52‐P2
Sorbent particle diameter, m 150‐180
Calcination temperature, C 520
Calcination temperature ramp, C/min 1
Duration of calcination, hr 8Concentration of potassium carbonate in the impregnation solution, mol/lit (M) 1
Duration of impregnation, hr 20Drying temperature, C(post‐impregnation) 90
Humidity during drying, % ambient
Duration of drying, hr 24
Re‐calcination temperature, C (post‐drying) 470
Calcination temperature ramp, C/min 1
Duration of re‐calcination, hr 49
10
T
T
P P
P P
MFC
MFC
P
CO2
N2
Data Acquisition &Control System
PressureRegulator
Bubble Flow meter
Vent
12
0
2
4
6
8
10
12
14
0 5 10 15 20 25 30 35 40 45 50
CO
2C
apac
ity. G
co2/
100g
of s
orbe
nt
time, min
450 ˚C425 ˚C
490 ˚C
390 ˚C
340 ˚C
13
0%
10%
20%
30%
40%
50%
60%
0 5 10 15 20
MgO
Con
vers
ion,
%
Time,min
Initial Gas CompositionCO2/N2/H2O: 50/20/30 %mol*CO2/N2/H2O: 50/40/10 %mol*CO2/N2/H2O: 50/45/5 %mol*CO2/N2/H2O: 50/50/0 %mol
P=20 bar T=420 ˚C
*The sorbent is exposed to steam for 30 min prior to the run.
Structural changes
Secondary Carbonation Reaction
MgO + H2O = Mg(OH)2 Hydration
Mg(OH)2 + CO2 = MgCO3 + H2O Carbonation
14
15
0.01
0.1
1
10
100
175 225 275 325 375 425 475 525 575
PCO
2 &
PH
2O ,
bar
Temperature, ˚C
AbsorptionMgO+CO2 MgCO3
DecompositionMgCO3 MgO+CO2
HydrationMgO+H2O Mg(OH)2
DehydrationMg(OH)2 MgO+H2O
16
0%
10%
20%
30%
40%
50%
60%
280 300 320 340 360 380 400 420 440 460
MgO
Con
vers
ion,
%
Temperature, C
Gas CompositionCO2/N2/H2O: 50/20/30 %molCO2/N2/H2O: 50/50/0 %mol
P=20 bar Reaction Time= 5 min
MgO+CO2 = MgCO3 Mg(OH)2+CO2 = MgCO3 +H2O
A. Hassanzadeh, 2007
20 µmScale:
1.E-07
1.E-06
1.E-05
1.E-04
1.E-03
0 100 200
k, (c
m/m
in)
Radius of Particle (μm)
k2
k1
Low Reactive Zone (k2)
Highly Reactive Zone (k1)
Product Layer
Gas Filmrp, k1
rc k2
rp’
Abbasi et al., Fuel, 2013
3 )1( ZXXrr pp
productreact
reactproduct
MM
Z
)
111()1(1
)1)((3
331
32
XZXXXr
Dk
XCCN
kr
dtdX
pg
s
eboMgO
s
p
c
cs rrfork
rrforkk
2
1
)(0XDD gg
Eulerian- Eulerian Approach in combination with the kinetic theory of granular flow
Assumptions: Uniform and constant particle size and density‐Conservation of Mass
‐ gas phase:
‐ solid phase
‐Conservation of Momentum‐ gas phase:
‐ solid phase
‐Conservation of Momentum‐ gas phase:
‐ solid phase
‐Conservation of solid phase fluctuating Energy
‐ solid phase
gggggg mvt
).()(
ssssss mvt
).()(
)(.).()( sggsggggggggggg vvgPvvvt
)(.).()( sggsssssssssssss vvgPPvvvt
Numerical Modeling: Conservation Equations
jisssiss Ryvyt
).()(
jigggigg Ryvyt
).()(
Generation of energy due to solid
stress tensor
Diffusion dissipationssssssssss vIpv
t
).(:)(]).()([
23
Abbasi and Arastoopour , CFB10, 2011
Gas-solid inter-phase exchange coefficient: EMMS model
Accounts for cluster formation by multiplying the “Wen & Yu” drag
correlation with a heterogeneity factor
Heterogeneity Factor
ω < 1 sg
)()1(
43
0 gDsggp
gg Cuud
p
sggg
pg
gg
d
uu
d
)1(75.1
)1(150 2
2
74.0g
74.0g
)( g
0044.0)7463.0(40214.05760.0 2
g
0040.0)7789.0(40038.00101.0 2
g
g8295.328295.31
82.074.0 g
97.082.0 g
97.0g
Numerical Modeling: Drag Correlation
(Wang et al. 2004)
Li et al., Chem. Eng. Sci, 2012
),;()],;([]),;(),;([)],;(),([),;( thtftx
tftDx
tftuxt
tf j
jipt
ip
i
xξxξxξxξxξxxξ
Accumulation term + Convection term + diffusive term + Growth term = Source term
To account for particle density distribution changes due to the
reaction
Finite size domain Complete set of trial functions Method Of Moments: FCMOM
Finite size domain: [-1, 1] instead of [0,∞]
Solution in terms of both Moments and size distribution f(ξ,x,t) will be approximated by expansion based on a complete set of trial
functions
n
vnv
vnnn
nn
n
vvnnvvnc
xtCtxf
02
0
}.])!].[()![(
1.{])!2[(
)!2(.)1(.21.
212
when )().,(),,(
df ii .).(
1
1
)(.2
12)( nn Pn
2/)]()([}2/)]()([{
maxmin
maxmin
tttt
Strumendo and Arastoopour, 2008
)()..( IGMBMBvt Convpi
i
Implementation in Ansys /Fluent code via User Defined Scalars and Functions
is
is
iss
ispss
isss SDv
t
).(
CFD
Multiphase Model
Phase velocity, Volume Fraction Mean particle size
PBE terms Moments of size Distribution
Population Balance Model
Reaction
Assumption: Moments are convected with mixture velocity
Kvt p
. min
min
).()(
}.).1(].)1({[
).()(
}..].)1({[
).()(
1}.).1(].)1({[
).()(
1}..].)1({[ ][
min
minmax
,1
11
min
minmax
,111
min
minmax1
11
min
minmax111,
j
jpi
i
j
jpi
i
ii
ii
ijpj
i
xv
iff
xv
iff
dtd
iff
dtd
iffvxt
2
)())(( maxminminmax0
1
s
vg= vs= 1 m/s
εs = 0.2
f2 f
f1
1m
1st Moment 2nd Moment
1 0.5 0 0.5 1
0
5
10
15
Particle Property (Dimensionless)
Num
ber d
ensi
ty fu
nctio
n (D
imen
sion
less
)
I ( )
f ( )
f1 ( )
f2 ( )
t = 10s
f2 f
f11m
Inlet
Outlet center point
45 cm
30 cm
Thermocouple
Thermocouple
8 cm
7 cm
T1
Thermowell
Bed of Sorbent
Quartz Beads
SS Annulus
SS Annulus
Frit
Reactor Body
T2
T1
T2
420
425
430
435
440
445
450
455
0 5 10 15 20 25 30 35 40 45 50Time, min
Tem
pera
ture
, C
T11T12T13T14
420 425 430 435Bed Temp., C
Posi
tion
of th
e be
d, c
m
0
8
4 8 cm
2 cm
T11
T12
T14
T13
Thermowell
420 425 430 435Bed Temp., C
Posi
tion
of th
e be
d, c
m
0
8
4 8 cm
2 cm
T11
T12
T14
T13
Thermowell
CO2Absorption Breakthrough Curve at Different Operating Temperatures
0
0.5
1
1.5
2
2.5
3
3.5
4
0 5 10 15 20 25 30 35 40Time, min
CO
2 Out
let F
low
, mol
/min
*103
Sorbent: EP68System Pressure= 20 atmInlet Total Flow Rate= 200 cm 3 /minCO2 inlet= 50 %molN2 inlet= 50 %mol
450°C
425°C
350°C
Bed Inlet
Bed Outlet
Initial 150 sec 1000 sec 2400 sec
MgO m
ass frac
tion
Based on DOE/ NETL Carbon Capture Unit. (Courtesy of Larry Shadle, NETL)
3.35 m
Location
Nominal Design gas Flow
(g/s)
Adsorber 5
Loop seal 1 0.7
Loop seal 2 0.8
Regenerator 1
Move air 0.14
NETL experimental imagesevery 0.4-0.6 sec
Clark et al., Powder Tech. 2013
“Chugging occurs when a large mass of particles lifts from the fluidized bed and moves into the cone leading into the riser. The cone‐constriction prevents particles from flowing smoothly into the riser and particles plug the riser pipe.”
Modeling, simulation and base design Development of a modified frictional granular flow model and
Completion of cold flow full loop CFB simulations for solid circulation rate calculations.
completion of riser simulation by including reaction and population balance model for density changes.
Development of preliminary base case design for scale up
Experiments Effect of CO2 and H2O concentration on absorption reaction and
operating condition on regeneration reaction Modeling of regeneration process and combined absorption & WGS
reactions
32
Task 1.
Task 2.
Task 3.
Task 4.
Month 3 6 9 12 15 18 21 24 27 30 33 36 39 42 45 48
Milestones:Task completionExperimental work completedReaction model finalized CFD simulation of single reaction/reactor CompletedCFD simulation of integrated process CompletedDevelopment of the base-case design completed