丙烯羰基合成丁醛工艺的模拟研究-于江涛

200934，、。，DAVY/DOW。，，，。AspenPlus，，DAVY/DOW，，。1（CO+H2），，：，，，，，，，。（1）～（2），（3）。1，，、。，，E-101。，R-102，，。R-101、。R-101，R-102R-102。E-102，，R-102。R-102E-103。，，E-105，E-106。E-103E-104，T-101，。，T-102。：2008-12-02；:（1982-），，，[e-mail]；*：，022-27405869，[e-mail]。1,1，2，1*（1.，300072;2.，300280）：AspenPlus，，。。：；；；：TQ215：A：1001-9219(2009)-02-20-05(1)(2)(3)202E-106，。，E-108，R-101。D-102E-107D-103。D-103，T-101。T-101，T-102，，。22.1A.Alberto[1,2]，（4）、（5）。，R-，mol/(L·min)；R-，mol/(L·min)；[CO]-CO，mol/L；[C3]-mol/L；[PPh3]-，mol/L。[3]，（6）。：R-，mol/(L·min)；PC3H6-，0.1MPa；PH2-，0.1MPa；PCO-CO，0.1MPa。2.2，，，[4-6]。[4]，，，，；AbhijartKongto[5]1Fig.1Flowdiagramforbutyraldehydesynthesisbyliquidrecycleoxoprocess(5)(6)(4)：21200934，，，，，。，，，，，，、。，（RCSTR）。2.32.3.1、、。。（RCSTR），（Flash2），（Heater），（RadFrac）。，，（Mixer）（Fsplit）。2.3.2，。，：、、、、、、、（TPP），，，，UNIQ-RK，RK，RK。，Henry。、、、、，Henry。2.3.3[7]。，，。，，，、、。：①；②；③。，5、7、11、20。，，。2.3.4，，，Fortran。：①：，，、、；②：AspenPlus，aspcompFortran；③：as-plink，；④：AspenPlusrun，AspenPlus。3，，，，。12，3，45。1Table1Feedconditionsofoxidationreactor/%/℃254080/MPa1.962.032.1/kmol/h395.3767.199.03CO043.10H2043.80C3H699.63.30.10039.2TPP00210035.22Table2Operatingconditionsofmainunits/℃/MPa/m3901.9175901.81751230.8-1180.17－420.66－331.93－222，。，，、，，、，，。67。4、5、67，，5%，3Table3Feedconditionsofmaincomponents2356781011121415161722/%/℃408090848540877712341491184241/MPa2.032.11.91.852.11.730.830.20.80.352.150.170.122.05/kmol/h767.199.0368.34541.715556.0422.46579.71428.33158.035.85471.72335.963.12391.29CO43.1－7.80.10.13.90.000.000.24.10.000.000.10.8H243.8－12.10.20.212.70.000.000.614.30.000.000.60.4C3H63.30.132.912.612.612.63.71.0135.65.41.823.80.11.439.27.660.160.11.568.973.773.74.072.783.116.884.90.34.31.58.98.90.410.210.310.30.91112.03.612.8TPP－21.00.03.83.80.003.85.00.00－0.000.00－0.00－35.20.06.56.50.006.48.40.00－0.10.1－0.14Table4Simulationoutcomeofthefirstreactorincon-trasttoindustrialoperationdata/kmol/h/kmol/h/%/%/%x/%55.02551.6077.1667.279.6459.708.9013.306.3068.34541.7178.3567.1210.1860.108.9012.605.70/%-19.51.83-1.520.22-5.30-0.670.005.5610.535Table5Simulationoutcomeofthesecondreactorincontrasttoindustrialoperationdata/kmol/h/kmol/h/%/%/%x/%26.86572.7693.8775.0512.8968.7010.503.806.3022.46579.7193.0479.4212.0168.9010.203.705.30/%19.59-1.200.89-5.507.33-0.292.942.7018.876Table6Simulationoutcomeofevaporatorincontrasttoindustrialoperationdata/℃/MPa/kg/hφ(CH4)/%φ(N2)/%/℃/MPa/kmol/hx()/%x(TPP)/%x()/%41.000.34172.425.631.0802.1102.9038.6021.6035.1041.000.3415326.232.2802.199.0339.2021.0035.20/%－－12.68-2.30-3.73－－3.91-1.532.86-0.287Table7Simulationoutcomeofstrippingtowerincon-trasttoindustrialoperationdata/℃/MPa/kmol/hφ(H2)/%φ(CO)/%/℃/MPa/kmol/hx()/%x()/%40.002.03758.2744.5443.9039.202.03389.9683.9813.0340.002.03767.1043.8043.1041.002.05391.2984.9012.80/%0.000.00-1.151.691.86-4.39-0.98-0.34-1.081.80：23200934ApparentkineticsandreactionmechanismofsynthesisofmethylphenylcarbamatefromanilineanddimethylcarbonateWANGHe-ling，HEGuo-feng，WANGGao，TIANHeng-shui(SchoolofChemicalEngineering，EastChinaUniversityofScienceandTechnology，Shanghai200237，China)Abstract：Theapparentkineticsofmethylphenylcarbamate(MPC)synthesisfromanilineanddimethylcarbonate(DMC)usinganhydrouszincacetateasacatalystwasstudied.TheresultsshowedthatinthecaseofsubstantialexcessofDMC,theapparentdynamicmodeloftheone-stepsynthesisofMPCbymethoxycarbonylationofanilinewithDMCcouldbetreatedasapseudofirstorderreaction.TheeffectofDMC,anilineandmethanolonthestructureofanhydrouszincacetatewerestudiedbyFT-IR,andthepossiblemechanismofthereactionofanilinewithDMCwasspeculated.Keywords：methylN-phenylcarbamate;dimethylcarbonate;aniline;methoxycarbonylation;apparentkinetics;reactionmechanism（11），。4，，，。，，，，。ai，bi，ci，di-；Hi-/kmol/(kN·m)；Ri-i/mol/(L·min)；P-/MPa；Pi-，0.1MPa；PPh3-；Rh-；T-/℃；：i-[1].[M].：，1995：206-208.[2]，，.[M].：，1987.：80-82.[3].[D].：，2005.[4]，，,.[J].，2001，17(2):112-117.[5]KongtoA,LimtrakulS,NgaowsuwanK,etal,Mathematicalmodelingandsimulationforgas-liquidreactors[J].ComputChemEng,2005(29):2461-2473.[6].[D].：，2002.[7].[D].：，2004.SimulationofoxoprocessfortheproductionofbutyraldehydefrompropyleneYUJiang-tao1,ZHANGBen-ling1,SUNShu-miao2,MAHai-hong1(1.ResearchandDevelopmentCenterforPetrochemicalTechnology,TianjinUniversity,Tianjin300072,China;2.TianjinLiandaGroupCompanyLimited,Tianjin300280,China)Abstract:TheoxoprocesswithliquidphasecirculationfortheproductionofbutyraldehydefrompropylenewassimulatedbyAspenPlussoftwareandchoosingpropermodel,thermodynamicmethods,andkineticequationsfromliteratures.Thesimulationre-sultsagreeverywellwiththepracticalindustrialdata.Keywords:oxosynthesis;butyraldehyde;propylene;hydroformylation;processsimulation!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!24