cryogenic batch reactor optimisation [read-only]

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CRYOGENIC BATCH REACTOR Engineering advanced CRYOGENIC BATCH REACTOR OPTIMISATION Computer Computer-aided Process Optimisation aided Process Optimisation Computer Computer aided Process Optimisation aided Process Optimisation 2 nd nd Symposium, Hürth, 2009 Symposium, Hürth, 2009 John E Edwards John E Edwards P & I Design Ltd P & I Design Ltd www.chemcad.co.uk www.chemstations.net Teesside UK Teesside UK ©1938 M.C. Escher/Cordon Art - Baarn - Holland

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Page 1: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR OPTIMISATION

ComputerComputer--aided Process Optimisationaided Process OptimisationComputerComputer aided Process Optimisationaided Process Optimisation22ndnd Symposium, Hürth, 2009Symposium, Hürth, 2009

John E EdwardsJohn E EdwardsP & I Design LtdP & I Design Ltd

www.chemcad.co.ukwww.chemstations.net

Teesside UKTeesside UK

©1938 M.C. Escher/Cordon Art - Baarn - Holland

Page 2: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR DYNAMIC SIMULATION JUSTIFICATION

PROJECT COST IMPACTS

1GET IT RIGHT FIRST TIME!

0.6

0.8

PAC

T

0.4

0.6

CO

ST IM

0

0.2

C

0 0.2 0.4 0.6 0.8 1

PROJECT TIME

www.chemcad.co.ukwww.chemstations.net

Problem Discovery Design Decisions

Page 3: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

BENEFITS OF DYNAMIC MODELLING

EXTENSIVE DATABASE OF FLUID PROPERTIES

FLUID PROPERTIES AT ACTUAL CONDITIONS

DYNAMIC DESIGN PARAMETERS USED

DESIGN VERIFICATION

CONTROL SYSTEM TUNING

PERFORMANCE OPTIMISATION

CONTROL SYSTEM TUNING

SCADA ENABLED OPTIMIZATION & TRAINING TOOL

www.chemcad.co.ukwww.chemstations.net

COMMISSIONING & TROUBLESHOOTING TOOL

Page 4: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR REFRIGERANT COOLING SCHEMATIC

HEATCOOL

BALANCE

REACTOR

HEATER COOLER

COLDHOT

EVAPORATOR

PROCESS SPECIFICATION CONTENTS TEMPERATURE 75 to 175 deg C CONTENTS TEMPERATURE -75 to 175 deg C JACKET TEMPERATURE -90 to 185 deg C EVAPORATOR -85 to -90 deg C

www.chemcad.co.ukwww.chemstations.net

Page 5: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR LIQUID NITROGEN COOLING SCHEMATIC

BALANCE

HEAT COOL REACTOR

HEATER COOLER

LOW TEMPERATURECIRCULATION TANK

PLUMEABATEMENT

SPIRALHEATEX

PROCESS SPECIFICATION CONTENTS TEMPERATURE -75 to 175 deg C CONTENTS TEMPERATURE -75 to 175 deg C JACKET TEMPERATURE -90 to 185 deg C EVAPORATOR -85 to -90 deg C

LIQUID NITROGEN

www.chemcad.co.ukwww.chemstations.net

Page 6: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR OPTIMISATION DESIGN PARAMETERS

OPTIMISATION PARAMETERSSELECTION OF HEAT TRANSFER FLUIDSELECTION OF HEAT TRANSFER FLUIDOPTIMUM SIZING REFRIGERATION UNIT MINMISE BALANCE TANK VOLUMEMINIMISE CIRCULATION FLOW RATESS C CU O O SMINIMISE AMBIENT & PUMP HEAT GAINSSIZE HEAT EXCHANGERSSIZE HEAT EXCHANGERSOPTIMISE PLANT CONFIGURATION

www.chemcad.co.ukwww.chemstations.net

Page 7: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR CHEMCAD MODEL FEATURES

MODEL REQUIREMENTSMODEL REQUIREMENTSTEST HEAT TRANSFER FLUID BEHAVIOURTEST REFRIGERATION PLANT PERFORMANCETEST REFRIGERATION PLANT PERFORMANCEDETERMINE CIRCULATION FLOWSTCU CONFIGURATION PERFORMANCETCU CONFIGURATION PERFORMANCETEST EQUIPMENT SIZING AND RATING

EXCEL INTERFACEEXCEL INTERFACE THERMAL DESIGN VALIDATIONCALCULATE JACKET/COIL PRESSURE DROPCALCULATE JACKET/COIL PRESSURE DROPCONTROL EXOTHERMIC REACTIONCONTROL HEAT DUTIES

www.chemcad.co.ukwww.chemstations.net

CONTROL HEAT DUTIES

Page 8: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR CHEMCAD REFRIGERATION MODEL

www.chemcad.co.ukwww.chemstations.net

Page 9: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

LOW TEMPERATURE REFRIGERATIONSINGLE CIRCUIT REFRIGERANT -50ºC

HGSV 2

TEVLLSVLLSV

WATEREVAPORATOR

CONDENSOR

JACKET RETURN

JACKET SUPPLY

SUCTION HEAT EX

COMPRESSOR

WATER

www.chemcad.co.ukwww.chemstations.net

WATER

Page 10: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

REFRIGERATION PLANTCHEMCAD MODEL

www.chemcad.co.ukwww.chemstations.net

Page 11: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

LOW-LOW TEMPERATURE REFRIGERATION TWO REFRIGERANT CIRCUITS CASCADE -100ºC

Primary Circuit Low Temperature R407C/R404C(R22 Replacement)

http://www.ishrae.in/journals/2000july/article05/fig05.jpg

www.chemcad.co.ukwww.chemstations.net

Cascade Circuit Low-Low Temperature R23 Refrigerant

Page 12: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CHEMCAD REFRIGERANTPHYSICAL PROPERTY DATA

CHEMCAD Refrigerant vs DuPont Data

10000

1000

kPa)

100Pres

sure

( k

100P

10-120 -100 -80 -60 -40 -20 0 20

Temperature (deg C)

www.chemcad.co.ukwww.chemstations.net

Temperature (deg C)

R407C Vapor CHEMCAD SUVA liquid SUVA vapor R407C Liquid CHEMCAD R23 Vapor CHEMCAD

Page 13: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CHEMCAD REFRIGERANTPHYSICAL PROPERTY DATA

CHEMCAD Data vs DuPont Data

1.8

1.9

1.6

1.7

/K)

1 3

1.4

1.5

Cp

(kJ/

kg/K

1.1

1.2

1.3

1120 170 220 270 320

Temperature (K)

www.chemcad.co.ukwww.chemstations.net

Temperature (K)

R407C CHEMCAD SUVA R23 CHEMCAD

Page 14: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

HEAT TRANSFER FLUIDSADVANTAGES

MULTIPURPOSE PLANT WIDE TEMPERATURE RANGE

SINGLE FLUID SYSTEM WITH NO PHASE CHANGE

FLUID PROPERTIES STABLE OVER WIDE RANGE

SINGLE FLUID SIMPLIFIES CONTROL SYSTEM

THERMAL SHOCK EFFECTS CONTROLLABLETHERMAL SHOCK EFFECTS CONTROLLABLE

NO CORROSION CLEAN HEAT TRANSFER SURFACES

JACKET SIDE EROSION MINIMISED

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REDUCED MAINTENANCE COSTS

Page 15: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

HEAT TRANSFER FLUIDSDISADVANTAGES

LOWER THERMAL EFFICIENCY THAN WATER SYSTEM

HIGHER CAPITAL EQUIPMENT COST

HIGH COST OF INITIAL FLUID CHARGE

SPECIAL COMMISSIONING PROCEDURES

LONGER DOWNTIME ON EQUIPMENT FAILURE

SPECIAL OPERATION & MAINTENANCE PROCEDURES

FLAMMABILITY-TOXICITY-ODOUR-GMP ISSUES

www.chemcad.co.ukwww.chemstations.net

FLAMMABILITY TOXICITY ODOUR GMP ISSUES

Page 16: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

HEAT TRANSFER FLUIDSPHYSICAL PROPERTY DATA

Common Heat Transfer Fluids Thermal Physical Property DataHeat Transfer Fluid Freeze Pt C Minimum C Maximum C Atm BP CD th A 12 15 400 257Dowtherm A 12 15 400 257Dowtherm J -81 -80 315 181Dowtherm Q -34 -35 330 271Dowtherm Q 34 35 330 271

Syltherm XLT -111 -100 260 172

Therminol 55 -54(1) -25 290 365Therminol 59 -68(1) -45 315 289Therminol LT -75 -75 180 181

(1)Transcal LT -39(1) -30 250 34050% EtGlycol -38.4 -30 >100 with

pressurisation100

Water 0 5 100

www.chemcad.co.ukwww.chemstations.net

pressurisationWater 0 5 100

Page 17: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

HEAT TRANSFER FLUIDSPHYSICAL PROPERTY DATA

Heat Transfer Fluids Liquid Specific Heats4 5

4.0

4.5

3 0

3.5

at (k

J/kg

-K)

Dowtherm ADowtherm JDowtherm Q

2.5

3.0

Spec

ific

Hea

Syltherm XLT50% EtGlycolWaterTh i l 55

1 5

2.0

Liqu

id S Therminol 55

Therminol 59Therminol LTTranscal LT

1.0

1.5

-50 0 50 100 150

Transcal LT

www.chemcad.co.ukwww.chemstations.net

Operating Temperature (degC)

Page 18: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

HEAT TRANSFER FLUIDSPHYSICAL PROPERTY DATA

Heat Transfer Fluids Liquid Viscosities

100

10

y (c

P)

Dowtherm ADowtherm JDowtherm Q

id V

isco

sity Syltherm XLT

50% EtGlycolWaterTh i l 55

1

Liqu

i Therminol 55Therminol 59Therminol LTTranscal LT

0.1100 50 0 50 100 150

Transcal LT

www.chemcad.co.ukwww.chemstations.net

-100 -50 0 50 100 150

Operating Temperature (degC)

Page 19: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR HEAT TRANSFER FLUID SELECTION

www.chemcad.co.ukwww.chemstations.net

Page 20: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR SYLTHERM XLT VISCOSITY

www.chemcad.co.ukwww.chemstations.net

Page 21: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR JACKET HTC VALIDATION & DP CALCULATION

www.chemcad.co.ukwww.chemstations.net

Page 22: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR EXOTHERMIC REACTION CONTROL

CHEMCAD Simulation Control Spreadsheet for Exothermic Reactions

www.chemcad.co.ukwww.chemstations.net

Page 23: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR HEAT TRANSFER COEFFICIENT DATA

Cryogenic Reactor Heat Transfer Coefficient Data

800

900

1000

-15

-5

600

700

800

ient

W/m

2-K

-35

-25

re (d

eg C

)

400

500

nsfe

r Coe

ffici

-55

-45

t Tem

pera

tur

200

300

Heat

Tra

n

-75

-65

Jack

et

30 m3/h24 m3/h

0

100

0 60 120 180 240 300 360R Ti ( )

-95

-85

www.chemcad.co.ukwww.chemstations.net

Run Time (m)Contents Film Coefficient Jacket Film Coefficient Overall Coefficient Jacket Temperature

Page 24: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR BALANCE TANK DYNAMICS

Refrigeration Balance Tank Dynamics Start Temperature -10 deg CStart Temperature -10 deg C

-76

-74

-80

-78

eg C

)

Total Tank HTF Volume 5m3

-84

-82

mpe

ratu

re (d

-88

-86

Tem

Evaporator Inlet -85ºC

-900 60 120 180 240

Run Time (h)

www.chemcad.co.ukwww.chemstations.net

Hot Tank-2.5 m^3 Cold Tank 2.5m^3 Hot Tank-1.25 m^3 Cold Tank-1.25 m^3

Page 25: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR COOL DOWN STRATEGIES

Q=UA∆TTemperature Difference ∆T greater influence thanTemperature Difference ∆T greater influence than

Heat Transfer Coefficient U

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Page 26: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR EQUPIMENT HEAT DUTIES

Heat Duty Profiles

40

60

Evaporator 35 kWReaction 10 kW

20

40

W)

Reaction 10 kWRx Heat Gain 4 kWPump Heat Gain 21 kW

0

Hea

t Dut

y (k

-40

-20

-600 60 120 180 240 300 360

R Ti ( )

www.chemcad.co.ukwww.chemstations.net

Run Time (m)

Q to Reactor Q from Jacket Q from Evaporator Heat of Reaction

Page 27: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR PROOF OF CONCEPT

Proof of Concept Temperature Plots

40

60

0

20

(deg

C)

-40

-20

mpe

ratu

re

-80

-60Tem

-1000 60 120 180 240 300 360 420 480

Run Time (m)

www.chemcad.co.ukwww.chemstations.net

u e ( )Reactor Contents Reactor Jacket Circulation Tank Hot Side Circulation Tank Cold Side

Page 28: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR PROOF OF CONCEPT

Proof of Concept Heat Duties

60

80

20

40

(kW

)

0

20

Hea

t Dut

y

-40

-20

-600 60 120 180 240 300 360 420 480

R Ti ( )

www.chemcad.co.ukwww.chemstations.net

Run Time (m)

Reaction Rate Q to Reactor Q from Jacket Q from Evaporator

Page 29: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR PROOF OF CONCEPT

Proof of Concept Flow Plots

30

35

20

25

cm/h

)

15

20

TF F

low

(ac

5

10

HT

00 60 120 180 240 300 360 420 480

www.chemcad.co.ukwww.chemstations.net

Run Time (m)Jacket Circulation Flow Evaporator Circulation Flow Plant Flow Plant Spillback Flow

Page 30: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR PROOF OF CONCEPT

Proof of Concept Pumping Power

18

20

12

14

16

r (kW

)

8

10

12

orbe

d Po

we

2

4

6

Abs

o

0

2

0 50 100 150 200 250 300 350 400 450

Run Time (m)

www.chemcad.co.ukwww.chemstations.net

Run Time (m)

Evaporator Circulation Pump Plant Circulation Pump Reactor Jacket CirculationPump Total Pumping Power

Page 31: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR RAW PLANT DATA

www.chemcad.co.ukwww.chemstations.net

Page 32: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR CHEMCAD MODEL VALIDATION

Initial Cool -10ºC

Reactor Cool -70ºC

Fridge System Cool -80ºC

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Page 33: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR ECONOMICS

REFRIGERATIONREFRIGERATIONCAPEXF FACTOR ~3 TIMES CAPEXN2

G COS / Q C RUNNING COST ~ 1/6 LIQUID N2 PER BATCHCENTRALISED FACILITY FOR GENERAL USE

LIQUID NITROGENLIQUID NITROGENSTORAGE FACILITY YEARLY LEASE ~2% CAPEXF

DEDICATED TO SINGLE REACTORDEDICATED TO SINGLE REACTORGOOD OPTION FOR PILOT PLANT

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Page 34: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR LIQUID NITROGEN STORAGE

www.chemcad.co.ukwww.chemstations.net

Page 35: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR LIQUID NITROGEN EQUIPMENT

Spiral CoilHeat ExchangerHeat Exchanger

Low TemperatureCi l ti T kCirculation Tank

www.chemcad.co.ukwww.chemstations.net

Page 36: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR JACKET SERVICES TCU

Shell & PlateHeat Exchangers

Digital JB Analogue JB

GlandlessCirculation Pump

www.chemcad.co.ukwww.chemstations.net

Page 37: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR TYPICAL TCU PLANT ROOM

www.chemcad.co.ukwww.chemstations.net

Page 38: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR MODERN GMP FACILITY

www.chemcad.co.ukwww.chemstations.net

Page 39: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR OPTIMISATION SUMMARY

Optimisation of refrigeration plant duty E i i i f f i ti t l tEconomic sizing of refrigeration system plantStudy thermal and hydraulic performanceE i i i f h t h dEconomic sizing of heat exchangers and pumpsStudy of total system transient behaviourA t h t i di tiAccurate heat gain predictions Develop operation and control strategyR t i t d i i i iRemoves uncertainty during commissioning

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Page 40: CRYOGENIC BATCH REACTOR OPTIMISATION [Read-Only]

CRYOGENIC BATCH REACTOR OPTIMISATIONEngineering advanced Engineering advanced

CRYOGENIC BATCH REACTOR OPTIMISATION

Engineering advanced

THANK YOUTHANK YOU

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