1、环己烷羧酸酰胺化工艺模拟计算报 告 人：吴 剑 夏启斌指导教师：钱 宇 教授二零零一年十二月2022-9-30环己烷羧酸酰胺化工艺模拟计算工业技术 己内酰胺的三种工业化技术：4液相Beckmann重排法 苯 环己烷 环己酮 环己酮肟 粗己内酰胺 产品4羧酸酰胺化法 甲苯 苯甲酸 环己烷羧酸 粗己内酰胺产品4光亚硝化法 苯 环己烷 粗己内酰胺 产品2022-9-304甲苯氧化：4苯甲酸加氢4制备亚硝基硫酸CH3+3/2O2COOH+H2O Co环己烷羧酸酰胺化工艺模拟计算 甲苯法简介COOH+3 H2Pd/CHCOOH2NH3+3 O2N2O3+3 H2ON2O3+H2SO4+SO32 NOHS
2、O4Pt/Rh2022-9-304环己烷羧酸酰胺化4水解、中和、萃取以及后续精制环己烷羧酸酰胺化工艺模拟计算 甲苯法简介HCOOH+NOHSO4H2SO4/SO3C=ONH.H2SO4(CH2)5+CO22022-9-30环己烷羧酸酰胺化工艺模拟 酰胺化简介1、环己烷羧酸（CCA）吸收正己烷2、CCA/正己烷溶液浓缩3、CCA/正己烷与发烟硫酸预混合4、中性副产物分离5、酰胺化反应6、水解反应7、正己烷冷凝回收8、酸团中萃取回收CCA2022-9-30环己烷羧酸酰胺化工艺模拟 物性数据组分分子量密度KG/M3正常沸点C临界温度C临界压力KPA临界体积M3/KG-MOLCCA128.171103
3、3.400232.600371.8503520.0000.3840BENZOIC122.1241176.629249.850478.8504559.6000.3410SO380.0581863.14144.850217.8508207.2800.1300H2SO498.0731846.877336.850651.8505066.3000.3000NOHSO4127.0802055.300MISSING612.7506745.300MISSINGHEXANE86.178663.34568.740234.2002968.8200.3700CPLC113.1611063.101270.500540.
4、0004934.5300.3400MCH98.190771.670100.934298.9703471.3900.3680CCASO3208.2291133.200MISSING390.1703652.200MISSINGCO244.010826.185-78.48031.0407381.5200.0940N228.013807.313-195.800-146.9003394.3900.09012022-9-30环己烷羧酸酰胺化工艺模拟 热力学方法属性当前方法KValue（VLE）NRTLLiquid EnthalpyIdealVapor EnthalpySoave-Redlich-Kwong
5、Liquid DensityAPIVapor DensityIdealVapor Fugacity（Phi）Ideal模拟软件：PRO/II2022-9-30环己烷羧酸酰胺化工艺模拟 CCA吸收正己烷2022-9-30环己烷羧酸酰胺化工艺模拟CCA吸收正己烷闪蒸过程：S05S06S07设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr相态混合混合液相液相汽相汽相HEXANE21692169.0020752075.359493.65CO231763176.00076.9231763099.08N25353.0000.055352.95Total539
6、85398.002075.002152.3133233245.69温度(C)-15-15-15-14.96-15-15压力(Kpa)161161-1611612022-9-30环己烷羧酸酰胺化工艺模拟CCA吸收正己烷吸收过程：S08S09S13S14设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr相态汽相汽相液相液相液相液相汽相汽相CCA-90259024.989025902500.019Benzoic-4.64.604.64.607.2E-5Hexane9493.658493.65-101.2E-3MCH-127
7、116.44127127010.56CO231763099.08-52.47-31763046.61N25352.95-0.08-5352.88Total33233245.699240.69292.229156.69156.632393110.07温度(C)40404242.1840404040.55压力(Kpa)160156-1471472022-9-30环己烷羧酸酰胺化工艺模拟 CCA/正己烷溶液的浓缩2022-9-30环己烷羧酸酰胺化工艺模拟 CCA/正己烷溶液的浓缩闪蒸过程：S16S17S19设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/H
8、r相态液相液相汽相汽相液相液相CCA117245109190.531.00.88117244109189.65BENZOIC3229.9902.70E-33229.999HEXANE6043256600.3545174527.935591552072.42MCH71595751.970200.6971595551.28CO2057.57051.2806.29N200.0800.0801.58E-3Total184868171630.4945184780.86180350166849.63温度(C)110-15108108108108压力(Kpa)-160128-2022-9-30环己烷羧酸酰胺
9、化工艺模拟 CCA/正己烷溶液的浓缩换热过程：S20S22S23S25设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr相态液相液相液相液相液相液相液相液相CCA2074620746.02117221172211722117222074620746.02BENZOIC5.75.701.11.11.11.15.75.70HEXANE98949893.761432614326143261432698949893.76MCH12671054.74113911391139113912671054.74CO201.20-01.
10、20N203.00E-4-03.00E-4Total3191331701.42271902719027190271903191331701.42温度(C)108108.063535.037068.688080.032022-9-30环己烷羧酸酰胺化工艺模拟 CCA/正己烷溶液的浓缩换热器E0406DUTY,M*KJ/HR4.412换热器E0407DUTY,M*KJ/HR2.198换热器E0408DUTY,M*KJ/HR1.955LMTD,C42.128U*A,KCAL/HR-C12263.66换热器E0409DUTY,M*KJ/HR 2.926泵P0404ACT FLOW RATE,M3/HR
11、212.3112022-9-30环己烷羧酸酰胺化工艺模拟预混合和中性副产物分离2022-9-30环己烷羧酸酰胺化工艺模拟预混合和中性副产物分离副反应如下：反应动力学：Rby=KbyCCCACSO3指前因子：k0=2.84105 kmol/m3Reactor.h/(kmol/m3)2活化能：43.7103KJ/Kmol反应热：22.34103Kcal/KmolHCOOH+SO3HCOOHSO32022-9-30环己烷羧酸酰胺化工艺模拟预混合和中性副产物分离预混合反应：S26S32S36设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr相态液相液相液相
12、液相液相液相CCA2074620746.02140754138432.08120007117691.08BENZOIC5.75.703938.033332.33SO3-2766827211.842766827214.98H2SO4-1648116141.421648116141.42HEXANE98949893.76672424527.935734856143.33MCH12671054.7486097040.2074325985.45CCASO3-39166.0139157.86CO201.2007.9806.78N203.00E-402.00E-301.70E-3Total31913317
13、01.42261184254974.66229271223273.23温度(C)3535.002525.372424.002022-9-30环己烷羧酸酰胺化工艺模拟预混合和中性副产物分离副产物分离：S34S37S49设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr设计值Kg/Hr模拟值Kg/Hr相态液相液相液相液相液相液相CCA140712138395.602070520704.531851718516.53BENZOIC3938.025.75.695.75.69SO33244232002.7147744787.7347744787.73H2SO41932518981.0628
14、442839.6423792353.64HEXANE6724266020.2198949876.8824312413.88MCH86097038.4212671052.98304289.98CCASO345868.046710.186710.18CO207.9801.1901.19N202.00E-303.00E-403.00E-4Total268827262552.053955639278.822847728378.82温度(C)3025.723025.724242.00泵P0409 ACT FLOW RATE,M3/HR 272.752022-9-30环己烷羧酸酰胺化工艺模拟酰胺化反应20
15、22-9-30环己烷羧酸酰胺化工艺模拟酰胺化反应酰胺化反应如下：反应动力学：Rmain=KmainCCCACNOHSO4指前因子：k0=3.111014 kmol/m3Reactor.h/(kmol/m3)2活化能：73.6103KJ/Kmol反应热：86.0103Kcal/Kmol转化的CCAHCOOH+NOHSO4H2SO4/SO3C=ONH.H2SO4(CH2)5+CO22022-9-30环己烷羧酸酰胺化工艺模拟酰胺化反应反应器有效体积（M3）NOHSO4进料比()HEXANE进料比()R0402-A1.950.2350.115R0402-B1.920.1980.265R0402-C1.
16、860.1520.232R0402-D1.800.1190.170R0402-E1.720.0960.100R0402-F1.660.0790.050R0402-G1.580.0660.034R0402-H1.520.0550.034R0402-I2.30-CCA：1856.53KG/HR，NOHSO4(7 2%w/w)：12406 KG/HRHEXANE56966 KG/HR2022-9-30环己烷羧酸酰胺化工艺模拟酰胺化反应反应结果：反应器空时（HR）单釜转化率(以 NOHSO4计)反应热（M*KJ/HR）R0402-A0.04240.99656.155R0402-B0.02530.989
17、55.055R0402-C0.01790.97863.849R0402-D0.01450.96593.490R0402-E0.01250.95502.439R0402-F0.01130.94552.011R0402-G0.01040.93641.677R0402-H0.00960.92641.414R0402-I0.01440.95550.12242022-9-30环己烷羧酸酰胺化工艺模拟酰胺化反应酰胺化反应器出口物料（71C，113KPa）：S68设计值KG/HR模拟值KG/HR相态混合混合CCA10098.410175.42BENZOIC5.75.69SO348555137.92H2SO41231312286.26HEXANE5878558768.88CPLC69886953.01MCH314299.98CCASO3820228.16CO231763094.23N2513.00E-4TOTAL97406.196949.552022-9-30THE END2022-9-30
