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Production of Acrolein by the Partial Oxidation of Propylene

Production of Acrolein from the Catalytic Oxidation of Propylene in a Fixed Bed ReactorTeam 1Michael GlasspoolSarah WilsonNicole CosgroveProduction GoalsProduce 30,000 Metric Tonnes / yearOperate for 350 days / yearProduce acrolein at 0.0177 kmol / s

Allowable Process Conditions1,2Process typically run between 320 390 CRun between atmospheric pressure and 303.975 kPa (3 atm)Use air as an oxygen sourceTypical Conversion between 65 90 %Propylene flammability range 2 11.1 %

Process OptimizationProcess was optimized in a series of reportsModeling started off simple and became more complexPressure drop calculations and energy balances were added over the course of the semester to accurately model the systemMaterial BalanceAssume an 80 % propylene conversionFlow enough air to stay below LFL of 2%C3H6 + O2C3H4O + H2O

Preliminary Energy BalanceThis model assumes a single reactionAdiabatic and Isothermal cases were modeled

Simple Kinetic Expression3 Rate expression was first order in propylene and half order in oxygen

Simple Kinetics ResultsAssuming steady-state, isothermal plug flow, the reactor was modeled in POLYMATH and Aspen Plus

Simple Kinetics Results

Major FindingsThe reactor volume was too largeIncreasing the temperature can drastically decrease the reactor volumeReactor temperature would be raised to 663.15 K, the maximum temperaturePressure Drop CalculationA pressure drop calculation was added using the Ergun Equation, assuming an isothermal plug flow reactor with a catalyst void fraction of 0.40 4

Pressure Drop ResultsBy increasing the inlet pressure to 3 atm, the reactor size was minimized and pressure drop was more easily modeled

Reaction KineticsReal reaction kinetics were found as modeled by Tan et al 5

Kinetic DevelopmentRate constants were given at different temperatures

Kinetic Development

Kinetic Modeling AssumptionsThe reaction was assumed to take place in a steady state, isothermal plug flow reactorThe catalyst void fraction was assumed to be 0.45 with a bulk density of 1565.5 kg/m3 6Kinetic Modeling ResultsThe new kinetics reduced the volume necessary to produce an 80 % conversionThis allowed the reaction to take place in only one reactorThe best acrolein selectivity was found at the higher end of the temperature range (390 C)Molar Flow Rate throughout Reactor

Acrolein Selectivity

Incorporation of an Energy BalanceAn energy balance was added to account for temperature changes throughout the reactorMolten salt (Ua = 227 W/m2-K) was used as a coolant to prevent a runaway reactor temperature7Energy Balance AssumptionsThe flow rate of coolant was kept high enough to maintain a constant coolant temperature of 658.15 KHeat capacities and heats of reaction were assumed to be constantEnergy Balance ResultsThe addition of the energy balance reduced the overall volume necessary to reach 80 % conversionThe pressure drop was also reduced from 10.64 % to 9.98 %

Reactor Temperature ProfileThe temperature throughout the reactor was modeled to determine the reactor hotspotThe effect of changes in the inlet and coolant temperatures were also exploredFor the base case, the reactor hotspot occurred at the beginning of the reactor and reached a temperature of 672.5 KReactor Temperature Profile

Reactor GainThe reactor gain was analyzed to determine the thermodynamic stability of the reactor 7

For a 1 C change in inlet temperature, the gain was found to be 0.0754

Reactor Gain Profile

Energy Balance ResultsThe coolant temperature effected the selectivity of the reactor

The highest selectivity was found when the coolant temperature and the inlet temperature were equal

Final Reactor Design

Temperature Profile in Final Reactor Design

Flow Rate Profile in Final Reactor Design

ReferencesGuest, H.R.. "Acrolein and Derivatives." Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed.Machhammer, et al. Method for Producing Acrolein and/or Acrylic Acid. US Patent 7,321,058. January 2008.Dr. Concetta LaMarca. Memo 2: Simple Kinetics. 2008.Fogler, H. Scott. Elements of Chemical Reaction Engineering. 4th Ed. Prentice Hall. 2006.Tan, H. S., J. Downie, and D. W. Bacon. "The Reaction Network for the Oxidation of Propylene over a Bismuth Molybdate Catalyst." The Canadian Journal of Chemical Engineering 67(1989): 412-417."Bismuth molybdate, powder and pieces." CERAC Online Catalog Search. CERAC Incorporated. 05 Mar 2008 .Dr. Concetta LaMarca. Memo 5: Energy Balance. 2008.

Any Questions?

Species NameChemical FormulaInlet Molar Flow rate(kmol/s)Inlet Mass Flow rate(kg/s)Outlet Molar Flow rate(kmol/s)Outlet Mass Flow rate(kg/s)

PropyleneC3H60.02210.93080.00440.1862

OxygenO20.24337.78640.22567.2202

NitrogenN20.915425.63040.915425.6304

AcroleinC3H4O0.00000.00000.01770.9921

WaterH2O0.00000.00000.01770.3188

Total-1.180834.34761.180834.3476

VariableIsothermalAdiabatic

Inlet Temp (K)623.15623.15

Outlet Temp (K)623.15777.84

Hrxn (J/s)x10-6-6.020

Heat Duty (J/kmol reacted)x10-6-3400

Number of Tubes1

Tube Diameter (m)10

Tube Length (m)759.89

Reactor Volume (m3)59681.87

Catalyst Bulk Density (kg/m3rxtr) 1000

Catalyst Weight (kg)59681870

Catalyst Void Fraction0.4

Reactor Temperature (K)623.15

Reactor Pressure (kPa)101.325

Heat Duty (W)-6014660

Calculated Heat Duty (W)-6020000

Residence Time (s)395.3

Sheet1Temperature (K)Conversion623.1580633.1590.52804643.1596.69827653.1599.24229663.1599.90107673.1599.99391683.1599.99986693.15100703.15100713.15100723.15100

Volume vs Conversion

Sheet2623 K633 K643 K653 K663 K673 K683 K693 K703 K713 K723 KVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume (m3)ConversionVolume 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Sheet3Heat DutyConversionPro1Pro2Wattskmol/skmol/s0000-6018968.80.800308740.02210.00441317-365641400.429737280.250.14256568-434648580.255415190.50.3722924-443196020.173623930.750.61978205-435788820.1280410510.87195895-423589660.099565141.251.12554357-410227460.080353471.51.3794698-397094640.066669391.751.63332856-384575770.0564965521.88700689-372890390.04869322.252.14044029-362003100.042544322.52.39363919-351931680.037600592.752.64659836-342569100.0335502432.89934925-333856230.030181773.253.15190924-325756980.027346013.53.40428893-318210800.02493173.753.65650612-311144880.0228544543.9085822-304515570.021051764.254.16052999-298283320.01947534.54.41236112-292412550.018087154.754.66408603-286871430.0168571854.91571409

Inlet Stream Specifications for the Aspen ModelMole Flow (kmol/s)0.2654Propylen flow (kmol/s)0.0221Oxygen Flow (kmol/s)0.02433Temperature (K)623.15Pressure (kPa)101.325

Reactor Temperature (K)663.15

Initial Pressure (kPa)303.975

Catalyst Weight (kg)2628582

Catalyst Density (kg/m3)6350[endnoteRef:2] [2: Perry, Dale L., and Sidney L. Phillips. Handbook of Inorganic Compounds. CRC Press, 1995.]

Reactor Volume (m3)752.6362

Reactor Diameter (m)17

Reactor Length (m)3.31587

Pressure Drop (kPa)0.2965

Percent Pressure Drop (%)0.0975

Number of Tubes509668.7

Number of Reactors6

Tubes per Reactor84945

Total Flow Rate (kmol/s)1.1808

Flow Rate per Reactor (kmol/s)0.1968

Total Catalyst Weight (kg)2628582

Catalyst per Reactor (kg)438097

Total Reactor Volume (m3)752.637

Volume per Reactor (m3)125.4395

Temperature (C)350375390

ka5.28 x 10-59.99 x 10-51.46 x 10-4

k12(2.19 0.14) x 10-4(3.86 0.37) x 10-4(5.38 0.35) x 10-4

k13(2.70 0.18) x 10-4(2.94 0.31) x 10-4(2.70 0.27) x 10-4

k14(2.73 0.21) x 10-5(4.52 0.55) x 10-5(6.28 0.71) x 10-5

[ka] = (mol*m3)1/2/(kg*s)

[kij] = m3/(kg*s)

1/T (1/K)ln(ka)ln(k12)ln(k14)ln(kCO2)ln(kCO)

0.001605-9.849-8.426-10.509-8.237-12.149

0.001543-9.211-7.860-10.004-8.183-11.128

0.001508-8.831-7.528-9.676-8.346-10.327

Chart1663.15658.15668.15663.15663.15668.5242666.1534671.1218670.55673.7758670.0845668.1726672.1244673.9029676.6373671.3051669.0466672.8257674.8343679.0959671.7763670.4965673.0533676.3764681.0871672.1528671.5361673.1929676.9808681.8956672.617671.9031673.2567677.8539683.1293672.7165672.163673.2116678.118683.5557672.7495672.3272673.1247678.2774683.8497672.729672.4374673.0064678.3568684.1029672.568672.4105672.8634678.3065684.1022672.4435672.3433672.5245678.2117684.0379672.2979672.244672.3368678.0818683.9229672.1361671.9752672.1413677.7455683.581671.779671.8158671.9403677.5505683.3702671.5896671.6452671.5295677.3436683.1412671.3959671.4661671.3226677.1281682.899671.1996671.0925671.1161676.682682.39670.8045670.9014670.9109676.4555682.1292670.6076670.7094670.5065676.2288681.8671670.4122670.5173670.3082676.0029681.6054670.2187670.1363670.1128675.5571681.0882669.839669.9484669.9206675.3383680.8345669.6534669.7628669.5462675.123680.5849669.4708669.5798669.3641674.9113680.3399669.2913669.2224669.1855674.4996679.8647668.942669.0481669.0103674.2999679.6348668.7722668.877668.6701674.1042679.4101668.6057668.7089668.505673.9127679.1907668.4423668.3821668.3432673.5417678.7675668.125668.2234668.1846673.3623678.5635667.971668.0677667.8768673.1867678.3645667.82667.9149667.7274673.015678.1703667.6718667.6182667.5809672.6826677.796667.3841667.4741667.4373672.5217677.6156667.2444667.3328667.1583672.3644677.4396667.1074667.1942667.0228672.2104677.2677666.9729666.9247666.8899671.9121676.9362666.7116666.7937666.7595671.7676676.7762666.5845666.6652666.5059671.6262676.6199666.4599666.5391666.3826671.4877676.4673666.3375666.2938666.2616671.2191676.1723666.0994666.1745666.1428671.0889676.0298665.9836666.0574665.9116670.9613675.8904665.8698665.9423665.7991670.8362675.7541665.7581665.7184665.6886670.5935675.4905665.5405665.6094665.5801670.4756675.3629665.4346665.5023665.3686670.3601675.238665.3305665.3971665.2656670.2468675.1159665.2283665.192665.1645670.0266674.8791665.0289665.0922665.065669.9197674.7645664.9318664.994664.8711669.8147674.6522664.8363664.8975664.7766669.7117674.5422664.7424664.7093664.6837669.5114674.3288664.5594664.6176664.5924669.414674.2254664.4701664.5274664.4142669.3184674.124664.3823664.4387664.3273669.2245674.0246664.296664.2656664.2418669.0418673.8317664.1275664.1812664.1577668.9528673.7381664.0452664.0981663.9936668.8655673.6462663.9644664.0164663.9135668.7797673.5562663.8848663.8569663.8347668.6126673.3813663.7294663.779663.7572668.5312673.2963663.6535663.7024663.6058668.4512673.2129663.5789663.627663.5318668.3727673.1311663.5054663.4797663.4591668.2195672.9721663.3619663.4078663.3874668.1449672.8948663.2918663.337663.2475668.0716672.8189663.2227663.2673663.1792667.9995672.7444663.1548663.1312663.1119667.8589672.5995663.022663.0646663.0456667.7904672.5291662.9571662.9991662.9161667.723672.4599662.8933662.9346662.8528667.6567672.3919662.8303662.8085662.7905667.5274672.2596662.7073662.7469662.7291667.4643672.1953662.6472662.6862662.6091667.4023672.132662.588662.6264662.5504667.3413672.0699662.5296662.5095662.4926667.2223671.949662.4156662.4524662.4357667.1642671.8901662.3598662.3961662.3243667.107671.8322662.3048662.3406662.2699667.0508671.7754662.2507662.2321662.2162666.941671.6646662.1448662.179662.1633666.8874671.6107662.0929662.1267662.0599666.8347671.5576662.0419662.0752662.0093666.7828671.5055661.9916661.9744661.9595666.6814671.404661.8931661.925661.9103666.6319671.3545661.845661.8764661.8142666.5832671.3058661.7975661.8285661.7671666.5352671.258661.7507661.7348661.7208666.4415671.1647661.6591661.6889661.6751666.3958671.1192661.6143661.6436661.5856666.3507671.0745661.5701661.5991661.5418666.3064671.0306661.5266661.5118661.4986666.2197670.9448661.4413661.4691661.4561666.1773670.903661.3996661.427661.3728666.1356670.8619661.3584661.3854661.332666.0946670.8215661.3179661.3041661.2918666.0143670.7426661.2384661.2643661.2521665.9751670.7041661.2238661.2398661.207665.9524670.677

Base CaseTo = 658.15KTo = 668.15KTa = 663.15KTa = 668.15KCatalyst Weight (kg)Temperature (K)

rate constant dataTkak12k13k14623.155.28E-052.19E-042.70E-042.73E-05648.159.99E-053.86E-042.94E-044.52E-05663.151.46E-045.38E-042.70E-046.28E-050.0016047501-9.848809292-8.4264388281-8.217088599-10.50862385580.0015428527-9.2110608909-7.8596731885-8.1319307906-10.00441347110.0015079545-8.8312382134-7.5276519978-8.217088599-9.6755554845Rate CnstlnAA-E/REka6.97931074.1661874324-1048887197.232k126.4485631.7539508074-9270.577074.937k13-7.94120.0003557793-159.461325.75044k143.210324.7865210656-8553.171110.4734kCO2(350)0.00034880321325.75044kCO2(375)0.00033799031325.75044kCO2(390)0.00031265451325.75044kCO(350)0.00000697611325.75044kCO(375)0.0000177891325.75044kCO(390)0.00004312481325.75044

rate constant data

kak12k13k14

heats of reactionComponentABCDEStd Hform (J/kmol)Cpi (J/kmol-K)Propylene4.39E+041.51E+051.40E+037.48E+046.16E+022.02E+07114623.98Oxygen2.91E+041.00E+042.53E+039.36E+031.15E+030.00E+0032674.71Acrolein4.84E+041.25E+051.40E+038.72E+046.33E+02-8.18E+07118107.40Water3.34E+042.68E+042.61E+038.90E+031.17E+03-2.42E+0837067.21CO22.94E+043.45E+041.43E+032.64E+045.88E+02-3.94E+0848542.02CO2.91E+048.77E+033.09E+038.46E+031.54E+03-1.11E+0830902.63N22.91E+048.61E+031.70E+031.03E+029.10E+020.00E+0030505.06Acetaldehyde4.45E+041.07E+051.61E+036.14E+047.38E+02-1.66E+0891017.90T663.15Tref298Reaction 1: Partial Oxidation of Propylene to AcroleinComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Water-2.29E+08Acrolein-4.62E+07rxnH (J/kmol)3.3994E+08Reaction 2: Formation of CO2ComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Water-2.29E+08CO2-3.78E+08rxnH (J/kmol)6.4128E+08Reaction 3: Formation of COComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Water-2.29E+08CO-9.96E+07rxnH (J/kmol)3.5775E+08Reaction 4: Formation of AcetaldehydeComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Acetaldehyde-1.39E+08rxnH (J/kmol)1.8058E+08

Aspen Reactor ProfileFEEDPRODUCTBase CaseGain Stuff663.15 CoolantREACTORSelectivityReactor lengthTemperatureReactor lengthTemperatureReactor lengthTemperatureREACTOR1.6165BASEmeterKmeterKmeterKVAPORVAPOR1.7635663.15 Ta0663.1499830664.1499820663.1499830.04524746667.4167520.04524746668.0684820.04524746669.560898Substream: MIXED0.09049493670.0278560.09049493670.452240.09049493673.573938Mole Flow kmol/sec0.1357424671.5486680.1357424671.8223260.1357424676.013318ACROL-0100.01768950.18098987672.3556520.18098987672.5294230.18098987677.407621PROPY-010.0275115.50E-030.22623733672.6942250.22623733672.8021270.22623733678.106297CARBO-0107.78E-030.2714848672.7287560.2714848672.7935320.2714848678.345618CARBO-0201.13E-030.31673227672.570050.31673227672.6061270.31673227678.286784OXYGE-010.3028670.27135790.36197973672.2913140.36197973672.3083530.36197973678.03988NITRO-011.1395171.1395170.4072272671.9412740.4072272671.9459250.4072272677.678772ACETA-0102.03E-030.45247467671.5521820.45247467671.5489580.45247467677.252584WATER00.0266010.49772213671.1451540.49772213671.1370350.49772213676.793595Mole Frac0.5429696670.7337770.5429696670.7225230.5429696676.322719ACROL-0100.01202060.58821707670.3263950.58821707670.3131420.58821707675.853213PROPY-010.01871633.73E-030.63346453669.9280510.63346453669.9136840.63346453675.39314CARBO-0105.29E-030.678712669.5416220.678712669.5269760.678712674.947104CARBO-0207.66E-040.72395947669.1686730.72395947669.1541090.72395947674.517494OXYGE-010.20604670.18439580.76920693668.809740.76920693668.7954460.76920693674.105242NITRO-010.7752370.77433610.8144544668.4647170.8144544668.4508880.8144544673.710684ACETA-0101.38E-030.85970187668.133420.85970187668.1200760.85970187673.33354WATER00.01807620.90494933667.8155070.90494933667.8024050.90494933672.973341Mass Flow kg/sec0.9501968667.5101420.9501968667.4974380.9501968672.629227ACROL-0100.9917520.99544427667.2167350.99544427667.2045840.99544427672.300365PROPY-011.157680.23129191.04069173666.9347991.04069173666.9234841.04069173671.985922CARBO-0100.34259141.0859392666.6637461.0859392666.6533411.0859392671.685035CARBO-0200.03156791.13118667666.4033531.13118667666.3936211.13118667671.397053OXYGE-019.6913818.6831261.17643413666.152791.17643413666.1437861.17643413671.121054NITRO-0131.9218431.921841.2216816665.91181.2216816665.9032231.2216816670.856505ACETA-0100.08950711.26692907665.6797791.26692907665.671451.26692907670.602885WATER00.4792251.31217653665.4562131.31217653665.4481221.31217653670.359539Mass Frac1.357424665.2406691.357424665.2327661.357424670.125768ACROL-0100.02318751.40267147665.0328221.40267147665.0250011.40267147669.901185PROPY-010.0270675.41E-031.44791893664.8322971.44791893664.8244741.44791893669.685339CARBO-0108.01E-031.4931664664.6387291.4931664664.6308181.4931664669.477826CARBO-0207.38E-041.53841387664.4517271.53841387664.4437641.53841387669.278133OXYGE-010.22658820.20301481.58366133664.2710261.58366133664.263051.58366133669.085814NITRO-010.74634480.74634481.6289088664.096351.6289088664.0884461.6289088668.900594ACETA-0102.09E-031.67415627663.9274521.67415627663.9197591.67415627668.722159WATER00.01120441.71940373663.7640821.71940373663.7568231.71940373668.55023Total Flow kmol/sec1.4698951.4716051.7646512663.6060361.7646512663.5992831.7646512668.384429Total Flow kg/sec42.770942.77091.80989867663.4531431.80989867663.446891.80989867668.224466Total Flow cum/sec26.727529.607331.85514613663.3052421.85514613663.2993981.85514613668.070169Temperature K664.15661.21961.9003936663.1621881.9003936663.1565961.9003936667.921315Pressure N/sqm3.04E+052.73E+051.94564107663.0235391.94564107663.0182981.94564107667.777555Vapor Frac111.99088853662.8892881.99088853662.8843611.99088853667.638755Liquid Frac002.036136662.7592932.036136662.7546042.036136667.504738Solid Frac002.08138347662.6334252.08138347662.6288762.08138347667.375261Enthalpy J/kmol1.17E+073.62E+062.12663093662.5114972.12663093662.5070492.12663093667.250133Enthalpy J/kg4.03E+051.25E+052.1718784662.3932512.1718784662.3889522.1718784667.129203Enthalpy Watt1.73E+075.33E+062.21712587662.2786262.21712587662.2744692.21712587667.012308Entropy J/kmol-K17873.5619790.482.26237333662.1674942.26237333662.163472.26237333666.89926Entropy J/kg-K614.2554680.9252.3076208662.0597332.3076208662.0558022.3076208666.789924Density kmol/cum0.05499560.0497042.35286827661.9551992.35286827661.951382.35286827666.684161Density kg/cum1.6002581.4446052.39811573661.8537752.39811573661.8500712.39811573666.581821Average MW29.0979329.064112.4433632661.7553572.4433632661.7517662.4433632666.482778Liq Vol 60F cum/sec0.07947530.07826812.48861067661.6598442.48861067661.6563632.48861067666.3869092.53385813661.5671372.53385813661.5637612.53385813666.2940962.5791056661.4771312.5791056661.4738722.5791056666.2042272.62435307661.3897482.62435307661.3866042.62435307666.1171952.66960053661.3049032.66960053661.3018762.66960053666.0329072.714848661.2225232.714848661.2195822.714848665.951252

Aspen Reactor Profile

Base CaseGainIncreased TaReactor Length (m)Temperature (K)

GainPolymathInletHot Spot663.15672.7495664.15672.8249GAIN0.0754AspenInletHot Spot663.15672.7286664.15672.8021GAIN0.0735

Polymath GarbageBase Case658.15(To)668.15(To)663.15 (Ta)668.15 (Ta)WTWTWTWTWT1.00E-10663.151.00E-10658.151.00E-10668.151.00E-10663.151.00E-10663.151527.688668.52421644.534666.15341390.117671.12181348.608670.551485.189673.77582270.71670.08452337.581668.17262205.26672.12442355.524673.90292106.321676.63733124.705671.30512719.975669.04663153.308672.82572738.478674.83432812.264679.09593596.321671.77633561.959670.49653680.397673.05333581.402676.37643610.745681.0871658To4099.957672.15284517671.53614218.047673.19294044.197676.98084047.861681.8956668To5175.255672.6175041.698671.90314755.696673.25675061.307677.85395005.714683.1293663.15Ta5712.905672.71655579.348672.1635830.995673.21165598.957678.1185530.209683.5557668.15Ta6250.554672.74956116.997672.32726368.644673.12476136.606678.27746067.858683.84976788.203672.7297192.296672.43746906.293673.00647211.905678.35687143.157684.10297863.502672.5687729.945672.41057443.943672.86347749.554678.30657680.806684.10228401.152672.44358267.595672.34338519.242672.52458287.203678.21178218.456684.03798938.801672.29798805.244672.2449056.891672.33688824.853678.08188756.105683.92299476.45672.13619880.543671.97529594.54672.14139900.151677.74559831.404683.5811.06E+04671.7791.04E+04671.81581.01E+04671.94031.04E+04677.55051.04E+04683.37021.11E+04671.58961.10E+04671.64521.12E+04671.52951.10E+04677.34361.09E+04683.14121.16E+04671.39591.15E+04671.46611.18E+04671.32261.15E+04677.12811.14E+04682.8991.22E+04671.19961.26E+04671.09251.23E+04671.11611.26E+04676.6821.25E+04682.391.32E+04670.80451.31E+04670.90141.28E+04670.91091.31E+04676.45551.31E+04682.12921.38E+04670.60761.36E+04670.70941.39E+04670.50651.37E+04676.22881.36E+04681.86711.43E+04670.41221.42E+04670.51731.44E+04670.30821.42E+04676.00291.41E+04681.60541.49E+04670.21871.53E+04670.13631.50E+04670.11281.53E+04675.55711.52E+04681.08821.59E+04669.8391.58E+04669.94841.55E+04669.92061.58E+04675.33831.58E+04680.83451.65E+04669.65341.63E+04669.76281.66E+04669.54621.64E+04675.1231.63E+04680.58491.70E+04669.47081.69E+04669.57981.71E+04669.36411.69E+04674.91131.68E+04680.33991.75E+04669.29131.80E+04669.22241.77E+04669.18551.80E+04674.49961.79E+04679.86471.86E+04668.9421.85E+04669.04811.82E+04669.01031.85E+04674.29991.84E+04679.63481.92E+04668.77221.90E+04668.8771.93E+04668.67011.90E+04674.10421.90E+04679.41011.97E+04668.60571.96E+04668.70891.98E+04668.5051.96E+04673.91271.95E+04679.19072.02E+04668.44232.06E+04668.38212.04E+04668.34322.07E+04673.54172.06E+04678.76752.13E+04668.1252.12E+04668.22342.09E+04668.18462.12E+04673.36232.11E+04678.56352.18E+04667.9712.17E+04668.06772.20E+04667.87682.17E+04673.18672.17E+04678.36452.24E+04667.822.23E+04667.91492.25E+04667.72742.23E+04673.0152.22E+04678.17032.29E+04667.67182.33E+04667.61822.30E+04667.58092.33E+04672.68262.33E+04677.7962.40E+04667.38412.39E+04667.47412.36E+04667.43732.39E+04672.52172.38E+04677.61562.45E+04667.24442.44E+04667.33282.47E+04667.15832.44E+04672.36442.44E+04677.43962.51E+04667.10742.49E+04667.19422.52E+04667.02282.50E+04672.21042.49E+04677.26772.56E+04666.97292.60E+04666.92472.57E+04666.88992.60E+04671.91212.60E+04676.93622.67E+04666.71162.66E+04666.79372.63E+04666.75952.66E+04671.76762.65E+04676.77622.72E+04666.58452.71E+04666.66522.73E+04666.50592.71E+04671.62622.70E+04676.61992.78E+04666.45992.76E+04666.53912.79E+04666.38262.76E+04671.48772.76E+04676.46732.83E+04666.33752.87E+04666.29382.84E+04666.26162.87E+04671.21912.87E+04676.17232.94E+04666.09942.92E+04666.17452.90E+04666.14282.93E+04671.08892.92E+04676.02982.99E+04665.98362.98E+04666.05743.00E+04665.91162.98E+04670.96132.97E+04675.89043.04E+04665.86983.03E+04665.94233.06E+04665.79913.03E+04670.83623.03E+04675.75413.10E+04665.75813.14E+04665.71843.11E+04665.68863.14E+04670.59353.13E+04675.49053.21E+04665.54053.19E+04665.60943.16E+04665.58013.19E+04670.47563.19E+04675.36293.26E+04665.43463.25E+04665.50233.27E+04665.36863.25E+04670.36013.24E+04675.2383.31E+04665.33053.30E+04665.39713.33E+04665.26563.30E+04670.24683.30E+04675.11593.37E+04665.22833.41E+04665.1923.38E+04665.16453.41E+04670.02663.40E+04674.87913.48E+04665.02893.46E+04665.09223.43E+04665.0653.46E+04669.91973.46E+04674.76453.53E+04664.93183.52E+04664.9943.54E+04664.87113.52E+04669.81473.51E+04674.65223.58E+04664.83633.57E+04664.89753.59E+04664.77663.57E+04669.71173.56E+04674.54223.64E+04664.74243.68E+04664.70933.65E+04664.68373.68E+04669.51143.67E+04674.32883.74E+04664.55943.73E+04664.61763.70E+04664.59243.73E+04669.4143.73E+04674.22543.80E+04664.47013.78E+04664.52743.81E+04664.41423.79E+04669.31843.78E+04674.1243.85E+04664.38233.84E+04664.43873.86E+04664.32733.84E+04669.22453.83E+04674.02463.91E+04664.2963.95E+04664.26563.92E+04664.24183.95E+04669.04183.94E+04673.83174.01E+04664.12754.00E+04664.18123.97E+04664.15774.00E+04668.95283.99E+04673.73814.07E+04664.04524.05E+04664.09814.08E+04663.99364.06E+04668.86554.05E+04673.64624.12E+04663.96444.11E+04664.01644.13E+04663.91354.11E+04668.77974.10E+04673.55624.17E+04663.88484.21E+04663.85694.19E+04663.83474.22E+04668.61264.21E+04673.38134.28E+04663.72944.27E+04663.7794.24E+04663.75724.2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Polymath Garbage


Selectivity JunkPolymathTo (K)Ta (K)Facrolein (kmol/s)FCO2 (kmol/s)FCO (kmol/s)Facetaldehyde (kmol/s)Selectivity663.15658.150.0176810.0077960.0011240.0020311.615663.15663.150.0184950.0073470.0013070.0021071.719663.15668.150.0192480.0068970.0015110.0021761.819658.15658.150.0176460.0078340.0011140.0020281.608668.15658.150.0177180.0077570.0011350.0020341.622

Chart1663.149983664.149982663.149983667.416752668.068482669.560898670.027856670.45224673.573938671.548668671.822326676.013318672.355652672.529423677.407621672.694225672.802127678.106297672.728756672.793532678.345618672.57005672.606127678.286784672.291314672.308353678.03988671.941274671.945925677.678772671.552182671.548958677.252584671.145154671.137035676.793595670.733777670.722523676.322719670.326395670.313142675.853213669.928051669.913684675.39314669.541622669.526976674.947104669.168673669.154109674.517494668.80974668.795446674.105242668.464717668.450888673.710684668.13342668.120076673.33354667.815507667.802405672.973341667.510142667.497438672.629227667.216735667.204584672.300365666.934799666.923484671.985922666.663746666.653341671.685035666.403353666.393621671.397053666.15279666.143786671.121054665.9118665.903223670.856505665.679779665.67145670.602885665.456213665.448122670.359539665.240669665.232766670.125768665.032822665.025001669.901185664.832297664.824474669.685339664.638729664.630818669.477826664.451727664.443764669.278133664.271026664.26305669.085814664.09635664.088446668.900594663.927452663.919759668.722159663.764082663.756823668.55023663.606036663.599283668.384429663.453143663.44689668.224466663.305242663.299398668.070169663.162188663.156596667.921315663.023539663.018298667.777555662.889288662.884361667.638755662.759293662.754604667.504738662.633425662.628876667.375261662.511497662.507049667.250133662.393251662.388952667.129203662.278626662.274469667.012308662.167494662.16347666.89926662.059733662.055802666.789924661.955199661.95138666.684161661.853775661.850071666.581821661.755357661.751766666.482778661.659844661.656363666.386909661.567137661.563761666.294096661.477131661.473872666.204227661.389748661.386604666.117195661.304903661.301876666.032907661.222523661.219582665.951252


rate constant dataTkak12k13k14623.155.28E-052.19E-042.70E-042.73E-05648.159.99E-053.86E-042.94E-044.52E-05663.151.46E-045.38E-042.70E-046.28E-050.0016047501-9.848809292-8.4264388281-8.217088599-10.50862385580.0015428527-9.2110608909-7.8596731885-8.1319307906-10.00441347110.0015079545-8.8312382134-7.5276519978-8.217088599-9.6755554845Rate CnstlnAA-E/REka6.97931074.1661874324-1048887197.232k126.4485631.7539508074-9270.577074.937k13-7.94120.0003557793-159.461325.75044k143.210324.7865210656-8553.171110.4734kCO2(350)0.00034880321325.75044kCO2(375)0.00033799031325.75044kCO2(390)0.00031265451325.75044kCO(350)0.00000697611325.75044kCO(375)0.0000177891325.75044kCO(390)0.00004312481325.75044

rate constant data

kak12k13k14

heats of reactionComponentABCDEStd Hform (J/kmol)Cpi (J/kmol-K)Propylene4.39E+041.51E+051.40E+037.48E+046.16E+022.02E+07114623.98Oxygen2.91E+041.00E+042.53E+039.36E+031.15E+030.00E+0032674.71Acrolein4.84E+041.25E+051.40E+038.72E+046.33E+02-8.18E+07118107.40Water3.34E+042.68E+042.61E+038.90E+031.17E+03-2.42E+0837067.21CO22.94E+043.45E+041.43E+032.64E+045.88E+02-3.94E+0848542.02CO2.91E+048.77E+033.09E+038.46E+031.54E+03-1.11E+0830902.63N22.91E+048.61E+031.70E+031.03E+029.10E+020.00E+0030505.06Acetaldehyde4.45E+041.07E+051.61E+036.14E+047.38E+02-1.66E+0891017.90T663.15Tref298Reaction 1: Partial Oxidation of Propylene to AcroleinComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Water-2.29E+08Acrolein-4.62E+07rxnH (J/kmol)3.3994E+08Reaction 2: Formation of CO2ComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Water-2.29E+08CO2-3.78E+08rxnH (J/kmol)6.4128E+08Reaction 3: Formation of COComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Water-2.29E+08CO-9.96E+07rxnH (J/kmol)3.5775E+08Reaction 4: Formation of AcetaldehydeComponentH (J/kmol)Propylene5.35E+07Oxygen1.13E+07Acetaldehyde-1.39E+08rxnH (J/kmol)1.8058E+08

Aspen Reactor ProfileFEEDPRODUCTBase CaseGain Stuff663.15 CoolantREACTORSelectivityReactor lengthTemperatureReactor lengthTemperatureReactor lengthTemperatureREACTOR1.6165BASEmeterKmeterKmeterKVAPORVAPOR1.7635663.15 Ta0663.1499830664.1499820663.1499830.04524746667.4167520.04524746668.0684820.04524746669.560898Substream: MIXED0.09049493670.0278560.09049493670.452240.09049493673.573938Mole Flow kmol/sec0.1357424671.5486680.1357424671.8223260.1357424676.013318ACROL-0100.01768950.18098987672.3556520.18098987672.5294230.18098987677.407621PROPY-010.0275115.50E-030.22623733672.6942250.22623733672.8021270.22623733678.106297CARBO-0107.78E-030.2714848672.7287560.2714848672.7935320.2714848678.345618CARBO-0201.13E-030.31673227672.570050.31673227672.6061270.31673227678.286784OXYGE-010.3028670.27135790.36197973672.2913140.36197973672.3083530.36197973678.03988NITRO-011.1395171.1395170.4072272671.9412740.4072272671.9459250.4072272677.678772ACETA-0102.03E-030.45247467671.5521820.45247467671.5489580.45247467677.252584WATER00.0266010.49772213671.1451540.49772213671.1370350.49772213676.793595Mole Frac0.5429696670.7337770.5429696670.7225230.5429696676.322719ACROL-0100.01202060.58821707670.3263950.58821707670.3131420.58821707675.853213PROPY-010.01871633.73E-030.63346453669.9280510.63346453669.9136840.63346453675.39314CARBO-0105.29E-030.678712669.5416220.678712669.5269760.678712674.947104CARBO-0207.66E-040.72395947669.1686730.72395947669.1541090.72395947674.517494OXYGE-010.20604670.18439580.76920693668.809740.76920693668.7954460.76920693674.105242NITRO-010.7752370.77433610.8144544668.4647170.8144544668.4508880.8144544673.710684ACETA-0101.38E-030.85970187668.133420.85970187668.1200760.85970187673.33354WATER00.01807620.90494933667.8155070.90494933667.8024050.90494933672.973341Mass Flow kg/sec0.9501968667.5101420.9501968667.4974380.9501968672.629227ACROL-0100.9917520.99544427667.2167350.99544427667.2045840.99544427672.300365PROPY-011.157680.23129191.04069173666.9347991.04069173666.9234841.04069173671.985922CARBO-0100.34259141.0859392666.6637461.0859392666.6533411.0859392671.685035CARBO-0200.03156791.13118667666.4033531.13118667666.3936211.13118667671.397053OXYGE-019.6913818.6831261.17643413666.152791.17643413666.1437861.17643413671.121054NITRO-0131.9218431.921841.2216816665.91181.2216816665.9032231.2216816670.856505ACETA-0100.08950711.26692907665.6797791.26692907665.671451.26692907670.602885WATER00.4792251.31217653665.4562131.31217653665.4481221.31217653670.359539Mass Frac1.357424665.2406691.357424665.2327661.357424670.125768ACROL-0100.02318751.40267147665.0328221.40267147665.0250011.40267147669.901185PROPY-010.0270675.41E-031.44791893664.8322971.44791893664.8244741.44791893669.685339CARBO-0108.01E-031.4931664664.6387291.4931664664.6308181.4931664669.477826CARBO-0207.38E-041.53841387664.4517271.53841387664.4437641.53841387669.278133OXYGE-010.22658820.20301481.58366133664.2710261.58366133664.263051.58366133669.085814NITRO-010.74634480.74634481.6289088664.096351.6289088664.0884461.6289088668.900594ACETA-0102.09E-031.67415627663.9274521.67415627663.9197591.67415627668.722159WATER00.01120441.71940373663.7640821.71940373663.7568231.71940373668.55023Total Flow kmol/sec1.4698951.4716051.7646512663.6060361.7646512663.5992831.7646512668.384429Total Flow kg/sec42.770942.77091.80989867663.4531431.80989867663.446891.80989867668.224466Total Flow cum/sec26.727529.607331.85514613663.3052421.85514613663.2993981.85514613668.070169Temperature K664.15661.21961.9003936663.1621881.9003936663.1565961.9003936667.921315Pressure N/sqm3.04E+052.73E+051.94564107663.0235391.94564107663.0182981.94564107667.777555Vapor Frac111.99088853662.8892881.99088853662.8843611.99088853667.638755Liquid Frac002.036136662.7592932.036136662.7546042.036136667.504738Solid Frac002.08138347662.6334252.08138347662.6288762.08138347667.375261Enthalpy J/kmol1.17E+073.62E+062.12663093662.5114972.12663093662.5070492.12663093667.250133Enthalpy J/kg4.03E+051.25E+052.1718784662.3932512.1718784662.3889522.1718784667.129203Enthalpy Watt1.73E+075.33E+062.21712587662.2786262.21712587662.2744692.21712587667.012308Entropy J/kmol-K17873.5619790.482.26237333662.1674942.26237333662.163472.26237333666.89926Entropy J/kg-K614.2554680.9252.3076208662.0597332.3076208662.0558022.3076208666.789924Density kmol/cum0.05499560.0497042.35286827661.9551992.35286827661.951382.35286827666.684161Density kg/cum1.6002581.4446052.39811573661.8537752.39811573661.8500712.39811573666.581821Average MW29.0979329.064112.4433632661.7553572.4433632661.7517662.4433632666.482778Liq Vol 60F cum/sec0.07947530.07826812.48861067661.6598442.48861067661.6563632.48861067666.3869092.53385813661.5671372.53385813661.5637612.53385813666.2940962.5791056661.4771312.5791056661.4738722.5791056666.2042272.62435307661.3897482.62435307661.3866042.62435307666.1171952.66960053661.3049032.66960053661.3018762.66960053666.0329072.714848661.2225232.714848661.2195822.714848665.951252

Aspen Reactor Profile


GainPolymathInletHot Spot663.15672.7495664.15672.8249GAIN0.0754AspenInletHot Spot663.15672.7286664.15672.8021GAIN0.0735

Polymath GarbageBase Case658.15(To)668.15(To)663.15 (Ta)668.15 (Ta)WTWTWTWTWT1.00E-10663.151.00E-10658.151.00E-10668.151.00E-10663.151.00E-10663.151527.688668.52421644.534666.15341390.117671.12181348.608670.551485.189673.77582270.71670.08452337.581668.17262205.26672.12442355.524673.90292106.321676.63733124.705671.30512719.975669.04663153.308672.82572738.478674.83432812.264679.09593596.321671.77633561.959670.49653680.397673.05333581.402676.37643610.745681.0871658To4099.957672.15284517671.53614218.047673.19294044.197676.98084047.861681.8956668To5175.255672.6175041.698671.90314755.696673.25675061.307677.85395005.714683.1293663.15Ta5712.905672.71655579.348672.1635830.995673.21165598.957678.1185530.209683.5557668.15Ta6250.554672.74956116.997672.32726368.644673.12476136.606678.27746067.858683.84976788.203672.7297192.296672.43746906.293673.00647211.905678.35687143.157684.10297863.502672.5687729.945672.41057443.943672.86347749.554678.30657680.806684.10228401.152672.44358267.595672.34338519.242672.52458287.203678.21178218.456684.03798938.801672.29798805.244672.2449056.891672.33688824.853678.08188756.105683.92299476.45672.13619880.543671.97529594.54672.14139900.151677.74559831.404683.5811.06E+04671.7791.04E+04671.81581.01E+04671.94031.04E+04677.55051.04E+04683.37021.11E+04671.58961.10E+04671.64521.12E+04671.52951.10E+04677.34361.09E+04683.14121.16E+04671.39591.15E+04671.46611.18E+04671.32261.15E+04677.12811.14E+04682.8991.22E+04671.19961.26E+04671.09251.23E+04671.11611.26E+04676.6821.25E+04682.391.32E+04670.80451.31E+04670.90141.28E+04670.91091.31E+04676.45551.31E+04682.12921.38E+04670.60761.36E+04670.70941.39E+04670.50651.37E+04676.22881.36E+04681.86711.43E+04670.41221.42E+04670.51731.44E+04670.30821.42E+04676.00291.41E+04681.60541.49E+04670.21871.53E+04670.13631.50E+04670.11281.53E+04675.55711.52E+04681.08821.59E+04669.8391.58E+04669.94841.55E+04669.92061.58E+04675.33831.58E+04680.83451.65E+04669.65341.63E+04669.76281.66E+04669.54621.64E+04675.1231.63E+04680.58491.70E+04669.47081.69E+04669.57981.71E+04669.36411.69E+04674.91131.68E+04680.33991.75E+04669.29131.80E+04669.22241.77E+04669.18551.80E+04674.49961.79E+04679.86471.86E+04668.9421.85E+04669.04811.82E+04669.01031.85E+04674.29991.84E+04679.63481.92E+04668.77221.90E+04668.8771.93E+04668.67011.90E+04674.10421.90E+04679.41011.97E+04668.60571.96E+04668.70891.98E+04668.5051.96E+04673.91271.95E+04679.19072.02E+04668.44232.06E+04668.38212.04E+04668.34322.07E+04673.54172.06E+04678.76752.13E+04668.1252.12E+04668.22342.09E+04668.18462.12E+04673.36232.11E+04678.56352.18E+04667.9712.17E+04668.06772.20E+04667.87682.17E+04673.18672.17E+04678.36452.24E+04667.822.23E+04667.91492.25E+04667.72742.23E+04673.0152.22E+04678.17032.29E+04667.67182.33E+04667.61822.30E+04667.58092.33E+04672.68262.33E+04677.7962.40E+04667.38412.39E+04667.47412.36E+04667.43732.39E+04672.52172.38E+04677.61562.45E+04667.24442.44E+04667.33282.47E+04667.15832.44E+04672.36442.44E+04677.43962.51E+04667.10742.49E+04667.19422.52E+04667.02282.50E+04672.21042.49E+04677.26772.56E+04666.97292.60E+04666.92472.57E+04666.88992.60E+04671.91212.60E+04676.93622.67E+04666.71162.66E+04666.79372.63E+04666.75952.66E+04671.76762.65E+04676.77622.72E+04666.58452.71E+04666.66522.73E+04666.50592.71E+04671.62622.70E+04676.61992.78E+04666.45992.76E+04666.53912.79E+04666.38262.76E+04671.48772.76E+04676.46732.83E+04666.33752.87E+04666.29382.84E+04666.26162.87E+04671.21912.87E+04676.17232.94E+04666.09942.92E+04666.17452.90E+04666.14282.93E+04671.08892.92E+04676.02982.99E+04665.98362.98E+04666.05743.00E+04665.91162.98E+04670.96132.97E+04675.89043.04E+04665.86983.03E+04665.94233.06E+04665.79913.03E+04670.83623.03E+04675.75413.10E+04665.75813.14E+04665.71843.11E+04665.68863.14E+04670.59353.13E+04675.49053.21E+04665.54053.19E+04665.60943.16E+04665.58013.19E+04670.47563.19E+04675.36293.26E+04665.43463.25E+04665.50233.27E+04665.36863.25E+04670.36013.24E+04675.2383.31E+04665.33053.30E+04665.39713.33E+04665.26563.30E+04670.24683.30E+04675.11593.37E+04665.22833.41E+04665.1923.38E+04665.16453.41E+04670.02663.40E+04674.87913.48E+04665.02893.46E+04665.09223.43E+04665.0653.46E+04669.91973.46E+04674.76453.53E+04664.93183.52E+04664.9943.54E+04664.87113.52E+04669.81473.51E+04674.65223.58E+04664.83633.57E+04664.89753.59E+04664.77663.57E+04669.71173.56E+04674.54223.64E+04664.74243.68E+04664.70933.65E+04664.68373.68E+04669.51143.67E+04674.32883.74E+04664.55943.73E+04664.61763.70E+04664.59243.73E+04669.4143.73E+04674.22543.80E+04664.47013.78E+04664.52743.81E+04664.41423.79E+04669.31843.78E+04674.1243.85E+04664.38233.84E+04664.43873.86E+04664.32733.84E+04669.22453.83E+04674.02463.91E+04664.2963.95E+04664.26563.92E+04664.24183.95E+04669.04183.94E+04673.83174.01E+04664.12754.00E+04664.18123.97E+04664.15774.00E+04668.95283.99E+04673.73814.07E+04664.04524.05E+04664.09814.08E+04663.99364.06E+04668.86554.05E+04673.64624.12E+04663.96444.11E+04664.01644.13E+04663.91354.11E+04668.77974.10E+04673.55624.17E+04663.88484.21E+04663.85694.19E+04663.83474.22E+04668.61264.21E+04673.38134.28E+04663.72944.27E+04663.7794.24E+04663.75724.27E+04668.53124.26E+04673.29634.34E+04663.65354.32E+04663.70244.35E+04663.60584.32E+04668.45124.32E+04673.21294.39E+04663.57894.38E+04663.6274.40E+04663.53184.38E+04668.37274.37E+04673.13114.44E+04663.50544.48E+04663.47974.45E+04663.45914.49E+04668.21954.48E+04672.97214.55E+04663.36194.54E+04663.40784.51E+04663.38744.54E+04668.14494.53E+04672.89484.60E+04663.29184.59E+04663.3374.62E+04663.24754.59E+04668.07164.59E+04672.81894.66E+04663.22274.64E+04663.26734.67E+04663.17924.65E+04667.99954.64E+04672.74444.71E+04663.15484.75E+04663.13124.72E+04663.11194.75E+04667.85894.75E+04672.59954.82E+04663.0224.81E+04663.06464.78E+04663.04564.81E+04667.79044.80E+04672.52914.87E+04662.95714.86E+04662.99914.88E+04662.91614.86E+04667.7234.85E+04672.45994.93E+04662.89334.91E+04662.93464.94E+04662.85284.92E+04667.65674.91E+04672.39194.98E+04662.83035.02E+04662.80854.99E+04662.79055.02E+04667.52745.02E+04672.25965.09E+04662.70735.07E+04662.74695.05E+04662.72915.08E+04667.46435.07E+04672.19535.14E+04662.64725.13E+04662.68625.15E+04662.60915.13E+04667.40235.12E+04672.1325.20E+04662.5885.18E+04662.62645.21E+04662.55045.18E+04667.34135.18E+04672.06995.25E+04662.52965.29E+04662.50955.26E+04662.49265.29E+04667.22235.28E+04671.9495.36E+04662.41565.34E+04662.45245.31E+04662.43575.35E+04667.16425.34E+04671.89015.41E+04662.35985.40E+04662.39615.42E+04662.32435.40E+04667.1075.39E+04671.83225.46E+04662.30485.45E+04662.34065.48E+04662.26995.45E+04667.05085.45E+04671.77545.52E+04662.25075.56E+04662.23215.53E+04662.21625.56E+04666.9415.55E+04671.66465.63E+04662.14485.61E+04662.1795.58E+04662.16335.61E+04666.88745.61E+04671.61075.68E+04662.09295.67E+04662.12675.69E+04662.05995.67E+04666.83475.66E+04671.55765.73E+04662.04195.72E+04662.07525.75E+04662.00935.72E+04666.78285.71E+04671.50555.79E+04661.99165.83E+04661.97445.80E+04661.95955.83E+04666.68145.82E+04671.4045.89E+04661.89315.88E+04661.9255.85E+04661.91035.88E+04666.63195.88E+04671.35455.95E+04661.8455.93E+04661.87645.96E+04661.81425.94E+04666.58325.93E+04671.30586.00E+04661.79755.99E+04661.82856.01E+04661.76715.99E+04666.53525.98E+04671.2586.06E+04661.75076.10E+04661.73486.07E+04661.72086.10E+04666.44156.09E+04671.16476.16E+04661.65916.15E+04661.68896.12E+04661.67516.15E+04666.39586.15E+04671.11926.22E+04661.61436.20E+04661.64366.23E+04661.58566.21E+04666.35076.20E+04671.07456.27E+04661.57016.26E+04661.59916.28E+04661.54186.26E+04666.30646.25E+04671.03066.32E+04661.52666.37E+04661.51186.34E+04661.49866.37E+04666.21976.36E+04670.94486.43E+04661.44136.42E+04661.46916.39E+04661.45616.42E+04666.17736.41E+04670.9036.49E+04661.39966.47E+04661.4276.50E+04661.37286.47E+04666.13566.47E+04670.86196.54E+04661.35846.53E+04661.38546.55E+04661.3326.53E+04666.09466.52E+04670.82156.59E+04661.31796.63E+04661.30416.61E+04661.29186.64E+04666.01436.63E+04670.74266.70E+04661.23846.69E+04661.26436.66E+04661.25216.69E+04665.97516.68E+04670.70416.72E+04661.22386.72E+04661.23986.72E+04661.2076.72E+04665.95246.72E+04670.677

Polymath Garbage


Selectivity JunkPolymathTo (K)Ta (K)Facrolein (kmol/s)FCO2 (kmol/s)FCO (kmol/s)Facetaldehyde (kmol/s)Selectivity663.15658.150.0176810.0077960.0011240.0020311.615663.15663.150.0184950.0073470.0013070.0021071.719663.15668.150.0192480.0068970.0015110.0021761.819658.15658.150.0176460.0078340.0011140.0020281.608668.15658.150.0177180.0077570.0011350.0020341.622

To(K)Ta(K)Facrolein (kmol/s)FCO2 (kmol/s)FCO (kmol/s)Facetaldehyde (kmol/s)Selectivity

663.15658.150.0176810.0077960.0011240.0020311.615

663.15663.150.0184950.0073470.0013070.0021071.719

663.15668.150.0192480.0068970.0015110.0021761.819

658.15658.150.0176460.0078340.0011140.0020281.608

668.15658.150.0177180.0077570.0011350.0020341.622

VariableValueUnits

Inlet Propylene Flow Rate0.027213kmol/s

Inlet Oxygen Flow Rate0.299583kmol/s

Inlet Nitrogen Flow Rate1.12716kmol/s

Overall Pipe Diamter4.5m

Tube Diameter0.0258226m

Number of Tubes30228-

Reactor Length2.42366m

Void Fraction0.45-

Inlet Pressure303.975kPa

Inlet Temperature663.15K

Coolant Temperature663.15K

Overall Heat Transfer Coefficient227W/m2-K

Catalyst Bulk Density1565.5kg/m3

Catalyst Weight59997.8kg

Chart1

Sheet1VariableValueUnitsInlet Propylene Flow Rate0.027213kmol/sInlet Oxygen Flow Rate0.299583kmol/sInlet Nitrogen Flow Rate1.12716kmol/sOverall Pipe Diamter4.5mTube Diameter0.0258226mNumber of Tubes30228-Reactor Length2.42366mInlet Pressure303.975kPaInlet Temperature663.15KCoolant Temperature663.15KOverall Heat Transfer Coefficient227W/m2-KCatalyst Bulk Density1565.5kg/m3Catalyst Weight59997.8kgVariableValueUnitsOutlet Propylene Flow Rate0.027213kmol/sInlet Oxygen Flow Rate0.299583kmol/sInlet Nitrogen Flow Rate1.12716kmol/sOverall Pipe Diamter4.5mTube Diameter0.0258226mNumber of Tubes30228-Reactor Length2.42366mVariableValueUnitsInlet Propylene Flow Rate12956.8417537429kmol/sInlet Oxygen Flow Rate15116.1806408kmol/sVariableValueUnitsInlet Propylene Flow Rate12956.8417537429kmol/s

Sheet2WeightTempPropyleneOxygenAcroleinCO2COWaterAcetaldehyde1.00E-10663.150.0272130.299583000001325.018670.51310.02634060.2983310.00070020.00031184.39E-050.00105598.05E-051964.757672.84020.02589330.29770260.00106260.00045876.89E-050.00159010.00012192697.019674.80870.02537030.29697470.00148810.00062379.94E-050.00221130.00017033100.015675.63810.02507980.29657270.00172510.00071310.0001170.00255510.00019723986.132676.96610.02443950.29569070.00224830.00090610.00015650.0033110.00025654466.115677.45630.02409390.29521640.00253120.00100860.00017830.00371810.00028854946.097677.81880.02375040.29474580.00281240.00110970.00020010.00412220.00032035426.08678.07450.02340990.29427970.00309150.00120930.00022190.00452270.00035186386.044678.33410.02273960.29336340.00364090.00140450.0002650.00531040.00041396866.027678.36560.02241080.29291410.00391050.00150.00028620.00569670.00044447346.009678.34670.02208660.29247110.00417630.00159410.00030720.00607760.00047447825.992678.28640.02176720.29203460.00443820.00168690.00032780.00645290.0005048785.956678.0710.02114340.29118170.00494950.00186870.00036790.00718610.00056189265.939677.92780.02083910.29076530.00519890.00195760.00038740.00754390.000599745.921677.76720.02053990.29035560.0054440.00204540.00040650.00789590.00061771.02E+04677.59320.02024580.28995270.00568490.00213190.00042520.0082420.00064491.12E+04677.21670.01967270.28916660.00615410.00230130.00046140.00891670.0006981.17E+04677.01910.01939360.28878340.00638240.00238420.00047890.00924560.00072381.22E+04676.81780.01911940.28840660.00660680.0024660.00049610.00956880.00074921.26E+04676.61430.018850.2880360.00682710.00254660.00051290.00988660.00077421.36E+04676.20540.01832510.28731330.0072560.00270470.00054530.0105060.00082281.41E+04676.00170.01806960.28696090.00746480.00278210.0005610.01080780.00084651.46E+04675.79940.01781840.28661430.00766980.00285840.00057640.01110460.00086971.50E+04675.59920.01757160.28627350.00787130.00293370.00059140.01139640.00089261.60E+04675.2060.01709070.28560840.00826370.00308130.00062050.01196550.00093711.65E+04675.01360.01685630.28528390.00845480.00315350.00063460.01224290.00095881.70E+04674.82430.01662590.28496470.00864260.00322480.00064840.01251580.00098011.74E+04674.63820.01639940.28465060.00882710.00329520.00066190.01278420.00100111.84E+04674.27590.01595780.28403740.00918690.00343310.00068810.0133080.0010421.89E+04674.09970.01574240.28373810.00936220.00350070.00070070.01356360.00106191.94E+04673.92690.01553060.28344350.00953450.00356730.00071320.0138150.00108151.98E+04673.75740.01532230.28315350.0097040.00363310.00072530.01406250.00110082.08E+04673.42820.01491580.28258710.01003460.00376210.0007490.01454570.00113842.13E+04673.26840.01471740.28231040.01019580.00382530.00076040.01478150.00115682.18E+04673.11180.01452230.2820380.01035440.00388770.00077170.01501370.00117492.22E+04672.95820.01433020.28176970.01051040.00394930.00078270.01524230.00119262.32E+04672.660.01395520.28124540.01081490.004070.00080410.01568890.00122732.37E+04672.51530.01377220.28098920.01096340.00412920.00081450.01590710.00124432.42E+04672.37330.0135920.28073680.01110970.00418760.00082470.01612190.00126092.46E+04672.23410.01341460.28048820.01125360.00424520.00083470.01633350.00127732.56E+04671.96370.0130680.28000210.01153460.00435830.00085420.0167470.00130942.61E+04671.83230.01289870.27976440.01167180.00441370.00086370.01694920.00132512.66E+04671.70340.0127320.27953030.01180690.00446840.0008730.01714830.00134052.70E+04671.57690.01256780.27929950.01193990.00452240.00088210.01734440.00135572.80E+04671.33090.01224690.27884810.01219980.00462840.00089990.0177280.00138532.85E+04671.21130.01209010.27862740.01232670.00468030.00090850.01791560.00139992.90E+04671.09390.01193560.27840980.01245180.00473160.0009170.01810040.00141412.94E+04670.97860.01178340.27819530.01257490.00478220.00092540.01828250.00142823.04E+04670.75420.01148580.27777560.01281560.00488150.00094160.01863880.00145573.09E+04670.6450.01134030.27757020.01293330.00493020.00094950.01881310.00146923.14E+04670.53770.0111970.27736780.01304920.00497830.00095730.01898480.00148243.18E+04670.43230.01105570.27716820.01316330.00502580.0009650.01915410.00149553.28E+04670.2270.01077940.27677750.01338660.0051190.00097990.01948550.0015213.33E+04670.1270.01064420.27658620.01349580.00516470.00098720.01964770.00153353.38E+04670.02870.0105110.27639770.01360340.00520980.00099430.01980750.00154583.42E+04669.93210.01037970.27621170.01370940.00525430.00100140.01996510.0015583.52E+04669.74370.01012270.27584760.01391680.00534180.00101510.02027370.00158173.57E+04669.65190.0099970.27566930.01401830.00538460.00102180.02042470.00159343.61E+04669.56160.00987310.27549350.01411830.0054270.00102840.02057360.00160483.66E+04669.47280.00975090.27532010.01421680.00546880.00103480.02072050.00161613.76E+04669.29960.00951170.27498040.01440970.00555090.00104750.02100810.00163823.81E+04669.21520.00939460.2748140.01450410.00559110.00105360.02114890.0016493.85E+04669.13210.00927920.27464990.01459720.00563090.00105970.02128780.00165973.90E+04669.05030.00916530.27448810.01468890.00567010.00106570.02142470.00167024.00E+04668.89070.00894240.27417090.01486850.00574720.00107740.02169310.00169084.05E+04668.81280.00883330.27401560.01495640.0057850.00108310.02182450.00170094.09E+04668.73620.00872570.27386230.01504310.00582240.00108870.02195410.00171084.14E+04668.66080.00861960.27371110.01512860.00585920.00109420.0220820.00172064.24E+04668.51340.00841170.27341470.01529590.00593160.0011050.02233250.00173984.29E+04668.44150.00830980.27326950.01537790.00596710.00111020.02245530.00174924.33E+04668.37070.00820940.27312630.01545870.00600220.00111540.02257640.00175854.38E+04668.3010.00811040.27298490.01553840.00603690.00112050.02269580.00176764.48E+04668.16470.00791630.27270780.01569450.00610490.00113050.022930.00178564.53E+04668.09820.00782120.2725720.0157710.00613830.00113540.02304470.00179434.57E+04668.03270.00772740.27243790.01584640.00617130.00114020.02315790.0018034.62E+04667.96810.00763490.27230570.01592080.00620380.0011450.02326960.00181154.72E+04667.8420.00745360.27204640.01606660.00626780.00115420.02348860.00182834.77E+04667.78030.00736470.27191930.0161380.00629920.00115880.02359590.00183654.81E+04667.71960.0072770.27179380.01620840.00633020.00116320.02370180.00184464.86E+04667.65980.00719060.271670.01627790.00636080.00116760.02380630.00185264.96E+04667.54280.0070210.27142720.01641410.00642090.00117620.02401130.00186825.01E+04667.48570.00693790.27130810.01648090.00645040.00118040.02411170.00187595.05E+04667.42930.00685590.27119060.01654670.00647960.00118460.02421090.00188355.10E+04667.37380.0067750.27107460.01661170.00650840.00118870.02430870.00189095.20E+04667.26520.00661640.27084720.0167390.00656490.00119660.02450060.00190565.25E+04667.21210.00653870.27073560.01680140.00659270.00120060.02459470.00191275.29E+04667.15980.00646190.27062550.0168630.00662010.00120440.02468750.00191985.34E+04667.10820.00638620.27051680.01692380.00664720.00120820.02477920.00192685.44E+04667.00730.00623770.27030350.01704290.00670040.00121570.0249590.00194055.49E+04666.95790.00616490.27019890.01710140.00672650.00121930.02504720.00194725.53E+04666.90930.0060930.27009570.0171590.00675230.00122290.02513420.00195395.58E+04666.86130.00602210.26999370.01721590.00677780.00122640.02522010.00196045.68E+04666.76740.0058830.26979370.01732750.00682790.00123340.02538870.00197325.73E+04666.72150.00581470.26969560.01738220.00685250.00123680.02547140.00197955.77E+04666.67620.00574740.26959880.01743610.00687680.00124010.0255530.00198585.82E+04666.63160.00568090.26950310.01748940.00690070.00124340.02563360.00199195.92E+04666.54420.00555050.26931540.01759390.00694790.00124990.02579170.00200395.97E+04666.50140.00548660.26922340.01764520.0069710.0012530.02586920.00200986.00E+04666.4720.00544260.269160.01768040.00698690.00125520.02592260.0020139

Sheet3

Chart2

Sheet1VariableValueUnitsInlet Propylene Flow Rate0.027213kmol/sInlet Oxygen Flow Rate0.299583kmol/sInlet Nitrogen Flow Rate1.12716kmol/sOverall Pipe Diamter4.5mTube Diameter0.0258226mNumber of Tubes30228-Reactor Length2.42366mInlet Pressure303.975kPaInlet Temperature663.15KCoolant Temperature663.15KOverall Heat Transfer Coefficient227W/m2-KCatalyst Bulk Density1565.5kg/m3Catalyst Weight59997.8kgVariableValueUnitsOutlet Propylene Flow Rate0.027213kmol/sInlet Oxygen Flow Rate0.299583kmol/sInlet Nitrogen Flow Rate1.12716kmol/sOverall Pipe Diamter4.5mTube Diameter0.0258226mNumber of Tubes30228-Reactor Length2.42366mVariableValueUnitsInlet Propylene Flow Rate12956.8417537429kmol/sInlet Oxygen Flow Rate15116.1806408kmol/sVariableValueUnitsInlet Propylene Flow Rate12956.8417537429kmol/s

Sheet2WeightTempPropyleneOxygenAcroleinCO2COWaterAcetaldehyde1.00E-10663.150.0272130.299583000001325.018670.51310.02634060.2983310.00070020.00031184.39E-050.00105598.05E-051964.757672.84020.02589330.29770260.00106260.00045876.89E-050.00159010.00012192697.019674.80870.02537030.29697470.00148810.00062379.94E-050.00221130.00017033100.015675.63810.02507980.29657270.00172510.00071310.0001170.00255510.00019723986.132676.96610.02443950.29569070.00224830.00090610.00015650.0033110.00025654466.115677.45630.02409390.29521640.00253120.00100860.00017830.00371810.00028854946.097677.81880.02375040.29474580.00281240.00110970.00020010.00412220.00032035426.08678.07450.02340990.29427970.00309150.00120930.00022190.00452270.00035186386.044678.33410.02273960.29336340.00364090.00140450.0002650.00531040.00041396866.027678.36560.02241080.29291410.00391050.00150.00028620.00569670.00044447346.009678.34670.02208660.29247110.00417630.00159410.00030720.00607760.00047447825.992678.28640.02176720.29203460.00443820.00168690.00032780.00645290.0005048785.956678.0710.02114340.29118170.00494950.00186870.00036790.00718610.00056189265.939677.92780.02083910.29076530.00519890.00195760.00038740.00754390.000599745.921677.76720.02053990.29035560.0054440.00204540.00040650.00789590.00061771.02E+04677.59320.02024580.28995270.00568490.00213190.00042520.0082420.00064491.12E+04677.21670.01967270.28916660.00615410.00230130.00046140.00891670.0006981.17E+04677.01910.01939360.28878340.00638240.00238420.00047890.00924560.00072381.22E+04676.81780.01911940.28840660.00660680.0024660.00049610.00956880.00074921.26E+04676.61430.018850.2880360.00682710.00254660.00051290.00988660.00077421.36E+04676.20540.01832510.28731330.0072560.00270470.00054530.0105060.00082281.41E+04676.00170.01806960.28696090.00746480.00278210.0005610.01080780.00084651.46E+04675.79940.01781840.28661430.00766980.00285840.00057640.01110460.00086971.50E+04675.59920.01757160.28627350.00787130.00293370.00059140.01139640.00089261.60E+04675.2060.01709070.28560840.00826370.00308130.00062050.01196550.00093711.65E+04675.01360.01685630.28528390.00845480.00315350.00063460.01224290.00095881.70E+04674.82430.01662590.28496470.00864260.00322480.00064840.01251580.00098011.74E+04674.63820.01639940.28465060.00882710.00329520.00066190.01278420.00100111.84E+04674.27590.01595780.28403740.00918690.00343310.00068810.0133080.0010421.89E+04674.09970.01574240.28373810.00936220.00350070.00070070.01356360.00106191.94E+04673.92690.01553060.28344350.00953450.00356730.00071320.0138150.00108151.98E+04673.75740.01532230.28315350.0097040.00363310.00072530.01406250.00110082.08E+04673.42820.01491580.28258710.01003460.00376210.0007490.01454570.00113842.13E+04673.26840.01471740.28231040.01019580.00382530.00076040.01478150.00115682.18E+04673.11180.01452230.2820380.01035440.00388770.00077170.01501370.00117492.22E+04672.95820.01433020.28176970.01051040.00394930.00078270.01524230.00119262.32E+04672.660.01395520.28124540.01081490.004070.00080410.01568890.00122732.37E+04672.51530.01377220.28098920.01096340.00412920.00081450.01590710.00124432.42E+04672.37330.0135920.28073680.01110970.00418760.00082470.01612190.00126092.46E+04672.23410.01341460.28048820.01125360.00424520.00083470.01633350.00127732.56E+04671.96370.0130680.28000210.01153460.00435830.00085420.0167470.00130942.61E+04671.83230.01289870.27976440.01167180.00441370.00086370.01694920.00132512.66E+04671.70340.0127320.27953030.01180690.00446840.0008730.01714830.00134052.70E+04671.57690.01256780.27929950.01193990.00452240.00088210.01734440.00135572.80E+04671.33090.01224690.27884810.01219980.00462840.00089990.0177280.00138532.85E+04671.21130.01209010.27862740.01232670.00468030.00090850.01791560.00139992.90E+04671.09390.01193560.27840980.01245180.00473160.0009170.01810040.00141412.94E+04670.97860.01178340.27819530.01257490.00478220.00092540.01828250.00142823.04E+04670.75420.01148580.27777560.01281560.00488150.00094160.01863880.00145573.09E+04670.6450.01134030.27757020.01293330.00493020.00094950.01881310.00146923.14E+04670.53770.0111970.27736780.01304920.00497830.00095730.01898480.00148243.18E+04670.43230.01105570.27716820.01316330.00502580.0009650.01915410.00149553.28E+04670.2270.01077940.27677750.01338660.0051190.00097990.01948550.0015213.33E+04670.1270.01064420.27658620.01349580.00516470.00098720.01964770.00153353.38E+04670.02870.0105110.27639770.01360340.00520980.00099430.01980750.00154583.42E+04669.93210.01037970.27621170.01370940.00525430.00100140.01996510.0015583.52E+04669.74370.01012270.27584760.01391680.00534180.00101510.02027370.00158173.57E+04669.65190.0099970.27566930.01401830.00538460.00102180.02042470.00159343.61E+04669.56160.00987310.27549350.01411830.0054270.00102840.02057360.00160483.66E+04669.47280.00975090.27532010.01421680.00546880.00103480.02072050.00161613.76E+04669.29960.00951170.27498040.01440970.00555090.00104750.02100810.00163823.81E+04669.21520.00939460.2748140.01450410.00559110.00105360.02114890.0016493.85E+04669.13210.00927920.27464990.01459720.00563090.00105970.02128780.00165973.90E+04669.05030.00916530.27448810.01468890.00567010.00106570.02142470.00167024.00E+04668.89070.00894240.27417090.01486850.00574720.00107740.02169310.00169084.05E+04668.81280.00883330.27401560.01495640.0057850.00108310.02182450.00170094.09E+04668.73620.00872570.27386230.01504310.00582240.00108870.02195410.00171084.14E+04668.66080.00861960.27371110.01512860.00585920.00109420.0220820.00172064.24E+04668.51340.00841170.27341470.01529590.00593160.0011050.02233250.00173984.29E+04668.44150.00830980.27326950.01537790.00596710.00111020.02245530.00174924.33E+04668.37070.00820940.27312630.01545870.00600220.00111540.02257640.00175854.38E+04668.3010.00811040.27298490.01553840.00603690.00112050.02269580.00176764.48E+04668.16470.00791630.27270780.01569450.00610490.00113050.022930.00178564.53E+04668.09820.00782120.2725720.0157710.00613830.00113540.02304470.00179434.57E+04668.03270.00772740.27243790.01584640.00617130.00114020.02315790.0018034.62E+04667.96810.00763490.27230570.01592080.00620380.0011450.02326960.00181154.72E+04667.8420.00745360.27204640.01606660.00626780.00115420.02348860.00182834.77E+04667.78030.00736470.27191930.0161380.00629920.00115880.02359590.00183654.81E+04667.71960.0072770.27179380.01620840.00633020.00116320.02370180.00184464.86E+04667.65980.00719060.271670.01627790.00636080.00116760.02380630.00185264.96E+04667.54280.0070210.27142720.01641410.00642090.00117620.02401130.00186825.01E+04667.48570.00693790.27130810.01648090.00645040.00118040.02411170.00187595.05E+04667.42930.00685590.27119060.01654670.00647960.00118460.02421090.00188355.10E+04667.37380.0067750.27107460.01661170.00650840.00118870.02430870.00189095.20E+04667.26520.00661640.27084720.0167390.00656490.00119660.02450060.00190565.25E+04667.21210.00653870.27073560.01680140.00659270.00120060.02459470.00191275.29E+04667.15980.00646190.27062550.0168630.00662010.00120440.02468750.00191985.34E+04667.10820.00638620.27051680.01692380.00664720.00120820.02477920.00192685.44E+04667.00730.00623770.27030350.01704290.00670040.00121570.0249590.00194055.49E+04666.95790.00616490.27019890.01710140.00672650.00121930.02504720.00194725.53E+04666.90930.0060930.27009570.0171590.00675230.00122290.02513420.00195395.58E+04666.86130.00602210.26999370.01721590.00677780.00122640.02522010.00196045.68E+04666.76740.0058830.26979370.01732750.00682790.00123340.02538870.00197325.73E+04666.72150.00581470.26969560.01738220.00685250.00123680.02547140.00197955.77E+04666.67620.00574740.26959880.01743610.00687680.00124010.0255530.00198585.82E+04666.63160.00568090.26950310.01748940.00690070.00124340.02563360.00199195.92E+04666.54420.00555050.26931540.01759390.00694790.00124990.02579170.00200395.97E+04666.50140.00548660.26922340.01764520.0069710.0012530.02586920.00200986.00E+04666.4720.00544260.269160.01768040.00698690.00125520.02592260.0020139

Sheet3