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Hesketh Chemical Reaction Engineering presentation
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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 (m3)Conversion1.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501.00E-0501452.3183.9270041472.4195.8025311474.1028.3302521359.44110.881851351.01315.001441569.27723.268891200.72724.563931196.74532.045281403.17545.981281249.07952.293261258.76763.088461929.7735.1825711949.8747.6077521951.55710.870541836.89614.404561828.46819.725832046.73229.172662091.99638.693621891.55445.574651971.09557.767671892.11567.228141903.52777.662512407.2286.421032427.3299.3769442429.01213.337652791.80621.022782783.37828.375882524.18734.608362569.45145.111532665.28857.432942551.84967.123952541.45377.519122391.24784.69373362.1388.8476193382.23912.810313383.92218.061243269.26124.130643260.83332.333633001.64239.615123046.90650.841983060.7562.438863136.52174.424853195.38884.595213045.11290.763793839.59210.036243859.69414.475983861.37720.322013746.71627.112063738.28836.066163956.55148.480814001.81560.538083856.04770.770233724.29480.115123633.19888.031833701.60194.431274317.04711.208734337.14916.10864338.83222.518174224.17129.972514215.74339.586974434.00652.40164479.2764.630864255.55874.221014314.51684.545954291.92491.80824195.05796.191074794.50212.365324814.60417.708874816.28724.651695179.0835.351035170.65346.043114911.46156.017764956.72568.292685057.6579.956344906.66487.993514952.39594.395314853.91697.705235749.41214.631755769.51420.81515771.19728.738325656.53537.878775648.10849.001295388.91659.353865434.1871.570185460.00882.329045500.32590.674445393.40395.648945513.4498.617766226.86715.742036246.96922.322376248.65230.695056133.9940.304916125.56351.793586343.82665.27386389.0977.132966266.87286.268856095.16892.758246055.66397.024346008.35899.055016704.32216.837326724.42423.799946726.10732.596366611.44542.633736603.01854.429686821.28167.8976866.54579.487566671.2287.897386690.93694.377336718.56697.965286668.47799.43097181.77717.917837201.87925.248437203.56134.443917566.35547.015647557.92859.269047298.73670.3192734481.597537481.40990.59977287.42595.634987381.91198.608837163.6899.610968136.68720.035378156.78828.060598158.47137.984098043.8149.076368035.38361.488837776.19172.556227821.45583.48877887.13891.716057884.47596.611657824.31598.920357824.04599.765738614.14221.072828634.24329.425438635.92639.679798521.26551.055088512.83863.585528731.10176.531538776.36586.704298699.62993.567638481.96397.378488.10999.261918484.47899.858939091.59722.096329111.69830.763549113.38141.327838998.7252.955198990.29365.566179208.55678.295399253.8288.067589106.31394.332219079.79197.958749152.06399.495438979.83199.903579569.05223.106079589.15332.075489590.83642.929649953.6356.532459945.20369.205429686.01179.925379731.27589.290359920.39395.599939677.88398.415769594.76399.608449640.32599.941931.05E+0425.085131.05E+0434.622981.06E+0445.999951.04E+0458.215681.04E+0470.87611.02E+0481.431841.02E+0490.387211.03E+0496.123271.03E+0498.770511.03E+0499.732341.03E+0499.965031.10E+0426.054821.10E+0435.859591.10E+0447.471041.09E+0459.832471.09E+0472.454921.11E+0484.111531.12E+0492.254191.11E+0496.990811.09E+0499.045841.09E+0499.817031.08E+0499.97611.15E+0427.011531.15E+0437.072121.15E+0448.901081.14E+0461.385551.14E+0473.947081.16E+0485.301591.16E+0493.046461.16E+0497.348871.15E+0499.259531.14E+0499.858021.15E+0499.985611.20E+0427.955441.20E+0438.261061.20E+0450.291271.23E+0464.310821.23E+0476.690571.21E+0486.401911.21E+0493.757441.20E+0497.664371.21E+0499.425381.20E+0499.902941.20E+0499.990161.29E+0429.805621.29E+0440.570111.29E+0452.95671.28E+0465.687881.28E+0477.950811.26E+0487.419361.26E+0494.395531.28E+0498.187251.27E+0499.554081.27E+0499.933661.26E+0499.994081.34E+0430.712241.34E+0441.691151.34E+0454.234151.33E+0467.010971.33E+0479.142221.35E+0489.230381.36E+0495.482271.32E+0498.403031.33E+0499.653961.31E+0499.948521.33E+0499.996441.39E+0431.606771.39E+0442.790471.39E+0455.476181.38E+0468.282251.38E+0480.268631.40E+0490.035151.40E+0495.94371.40E+0498.760631.39E+0499.731471.38E+0499.964811.38E+0499.997641.43E+0432.489391.44E+0443.868521.44E+0456.68381.47E+0470.677671.47E+0482.34071.45E+0490.779511.45E+0496.357911.44E+0498.908181.45E+0499.791621.45E+0499.975941.44E+0499.998491.53E+0434.219551.53E+0445.962511.53E+0458.999751.52E+0471.805721.52E+0483.292961.49E+0491.468031.50E+0496.729761.52E+0499.152691.51E+0499.83831.51E+0499.983561.50E+0499.999071.58E+0435.067431.58E+0446.979281.58E+0460.109981.57E+0472.889811.57E+0484.193481.59E+0492.694131.59E+0497.363291.56E+0499.253581.57E+0499.874521.56E+0499.987241.57E+0499.999451.63E+0435.904051.63E+0447.976451.63E+0461.189581.62E+0473.931681.62E+0485.04511.64E+0493.23921.64E+0497.632361.65E+0499.420761.63E+0499.902631.62E+0499.991281.62E+0499.999631.67E+0436.729571.68E+0448.954411.68E+0462.239431.71E+0475.895451.71E+0486.612281.69E+0493.743481.69E+0497.873951.69E+0499.489731.69E+0499.924441.69E+0499.994041.68E+0499.999761.77E+0438.347931.77E+0450.854251.77E+0464.253251.76E+0476.820511.76E+0487.332771.73E+0494.210041.74E+0498.090871.77E+0499.604031.75E+0499.941371.73E+0499.995371.74E+0499.999841.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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
Base CaseTo = 658.15KTo = 668.15KTa = 663.15KTa = 668.15KCatalyst Weight (kg)Temperature (K)
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
Base CaseGainIncreased TaReactor Length (m)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
Base CaseTo = 658.15KTo = 668.15KTa = 663.15KTa = 668.15KCatalyst Weight (kg)Temperature (K)
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.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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