UNIFAC模型在甲酯精馏过程模拟计算中的应用
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摘要
本课题的任务是对脂肪醇装置204单元进行模拟计算,并通过改变设备的操作参数来优化装置的性能。该工艺过程的特点是流程结构复杂,组分繁多,体系非理想性强。甲酯的预馏塔和精馏塔是本工艺过程中两种典型的分离设备,文中对这两种设备进行了深入的分析和论证后,利用稳态的平衡级模型进行模拟计算甲酯的预馏塔,并且利用动态的多组元精馏经验计算方法和最小热负荷动态模型来优化甲酯的精馏塔。
由于体系的组分多达30种,且非理想性强,故选则合适的轻、重关键组分以及准确地计算汽液平衡数据是甲酯精馏过程模拟计算的关键。文中利用模型分子法对次轻、重组分进行评估,并根据其挥发度、分子量和密度等参数对其进行合并和拆分。对于轻、重关键组分,文中利用正构烷烃模型分子法,再根据Lagrange插值公式,确定其比例组成。同时文中又利用基团贡献模型(UNIFAC、改进UNIFAC(Lyngby)、改进UNIFAC(Dortmund)、ASOG)和状态方程(SRK、PR、维里方程)交叉结合的方法,预测甲酯—甘油二酸脂体系的汽液相平衡,通过与现场数据进行比较发现, SRK方程+改进UNIFAC模型能更好地描述该体系的热力学性质;通过分析其预测的汽液平衡数据可知,精馏塔最佳的操作温度范围为205~213℃。在精馏塔的模拟和优化过程中,利用多组元精馏的经验计算方法和非平衡级的最小热负荷模型来优化精馏塔操作温度,得出最佳值为210℃,并使精馏塔在该温度下的热负荷降低了19.1%。
This paper iS mainly to simulate the process of Me—Ester pre—distillation and
optimize the performance of equipment of Me—Ester distillation by altering its
operating parameter.The characteristic of the technologic process iS the complicated
makeup,numerous components and the highly non-ideal system.The towers of
pre—distillation and distillation of Me—Ester are the typical separating equipments.This
dissertation is mainly to simulate pre-distillation of Me—Ester by the stabile
grade-equilibrium model and optimize the distillation of Me—Ester by the dynamic
UFG model and minimal heating charge model,after analyzing and demonstrating the
equipment.
It is very important to choose the reasonable sub—important component and
calculate the VLE during the simulation of Me—Ester distillation because of the
complicated makeup,numerous components and the highly non-ideal system.The
method of model molecule Was applied to evaluate the sub-important components and
combine or disconnect it by the volatility,molecular weight and density.Meanwhile,
with regard to the key component,the model molecule of alkyrlation and formula of
Lagrange were used to conforrn the components.The group contribution methods,
based on the cross connection of UNIFAC model(original UNIFAC model,modified
UNIFAC model(Dortmund),modified UNIFAC model(Lyngby),ASOG model)and
the state equation(SRK equation,PR equation,Van Ness equation),were applied to
predict VLE of me.ester system.Compared with the located data,we founded that
model of SRK equation+modified UNIFAC model(Dortmund)may better depict the
thermo-dynamics character of me-ester+di—clycerid system than others connection.
By the analyze of predicted VLE data,the optimum temperature of operation Was
205—213℃ in the distillation tower.The optimum operating temperature of
distillation tower was adjusted to 210℃and the heating charge of distillation tower
was reduced by 19.1%by means of minimal heating charge model of flashes。
由于体系的组分多达30种,且非理想性强,故选则合适的轻、重关键组分以及准确地计算汽液平衡数据是甲酯精馏过程模拟计算的关键。文中利用模型分子法对次轻、重组分进行评估,并根据其挥发度、分子量和密度等参数对其进行合并和拆分。对于轻、重关键组分,文中利用正构烷烃模型分子法,再根据Lagrange插值公式,确定其比例组成。同时文中又利用基团贡献模型(UNIFAC、改进UNIFAC(Lyngby)、改进UNIFAC(Dortmund)、ASOG)和状态方程(SRK、PR、维里方程)交叉结合的方法,预测甲酯—甘油二酸脂体系的汽液相平衡,通过与现场数据进行比较发现, SRK方程+改进UNIFAC模型能更好地描述该体系的热力学性质;通过分析其预测的汽液平衡数据可知,精馏塔最佳的操作温度范围为205~213℃。在精馏塔的模拟和优化过程中,利用多组元精馏的经验计算方法和非平衡级的最小热负荷模型来优化精馏塔操作温度,得出最佳值为210℃,并使精馏塔在该温度下的热负荷降低了19.1%。
This paper iS mainly to simulate the process of Me—Ester pre—distillation and
optimize the performance of equipment of Me—Ester distillation by altering its
operating parameter.The characteristic of the technologic process iS the complicated
makeup,numerous components and the highly non-ideal system.The towers of
pre—distillation and distillation of Me—Ester are the typical separating equipments.This
dissertation is mainly to simulate pre-distillation of Me—Ester by the stabile
grade-equilibrium model and optimize the distillation of Me—Ester by the dynamic
UFG model and minimal heating charge model,after analyzing and demonstrating the
equipment.
It is very important to choose the reasonable sub—important component and
calculate the VLE during the simulation of Me—Ester distillation because of the
complicated makeup,numerous components and the highly non-ideal system.The
method of model molecule Was applied to evaluate the sub-important components and
combine or disconnect it by the volatility,molecular weight and density.Meanwhile,
with regard to the key component,the model molecule of alkyrlation and formula of
Lagrange were used to conforrn the components.The group contribution methods,
based on the cross connection of UNIFAC model(original UNIFAC model,modified
UNIFAC model(Dortmund),modified UNIFAC model(Lyngby),ASOG model)and
the state equation(SRK equation,PR equation,Van Ness equation),were applied to
predict VLE of me.ester system.Compared with the located data,we founded that
model of SRK equation+modified UNIFAC model(Dortmund)may better depict the
thermo-dynamics character of me-ester+di—clycerid system than others connection.
By the analyze of predicted VLE data,the optimum temperature of operation Was
205—213℃ in the distillation tower.The optimum operating temperature of
distillation tower was adjusted to 210℃and the heating charge of distillation tower
was reduced by 19.1%by means of minimal heating charge model of flashes。
引文
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杨冀宏、麻德贤,过程系统工程导论,北京,烃加工出版社,989;
杨友麒,实用化工系统工程,北京,化学工业出版社,1989;
朱开宏, 化工流程模拟, 北京,中国石化出版社,1993;
高松武一郎,,沈静珠译,化工过程系统工程,北京,化学工业出版社,1978;
房德中、朱建业,化工过程分析与模拟,北京,化学工业出版社,1991;
姚平经,化工过程系统工程,大连,大连理工大学出版社,1991;
王健红,化工系统工程基本原理与技术,北京化工大学研究生教材,待发表;
时钧、汪甲鼎、余国琮、陈敏恒,化学工程手册(第二版),北京,化学工业出版社,1996;
杨少华、周章玉、华贲、成思危,过程系统技术与管理的综合集成,现代化工1999年增刊,99过程系统工程年会论文集,北京,1999,pp209-214;
周章玉、杨少华、成思危、华贲,发展过程工业CIPS的策略探讨,现代化工1999年增刊,99过程系统工程年会论文集,北京,1999,pp202-208;
杨友麒,从CIMS走向供应链的动态优化,化工进展1999年增刊,第七届计算机化工应用学术年会论文集,北京,1999.10,pp24-34;
张跃敏、王红、周家驹、许志宏,论集成性化工过程模拟系统的建立和应用,中国化工学会计算机应用学会化工过程的数学模拟分析会议第三届年会论文集,北京,1990.10;
成思危,综合集成整体优化—论我国过程系统工程的发展方向,现代化工1999年增刊,99过程系统工程年会论文集,北京,1999,pp1-3;
Roger,G.E.Franks, Modeling and Simulation in Chemical Engineering , 1971;
W.L.Luyben, Process Modeling, Simulation, and Control for Chemical Engineers, McGraw-Hill, 1973;
Williams, T.J., Systems Engineering for the Process Industries, McGraw-Hill, 1961;
E.M.Rosen, Steady State Chemical Process Simulation: A State-of-the-Art Review, Computer Applications to Chemical Engineering, ACS Symposium Series 124, 1980, pp3-36;
Arthur W.Westerberg, A Review of Process Synthesis, Computer Applications to Chemical Engineering, ACS Symposium Series 124, 1980, pp53-88;
Heinz A. Preisig, Mark Kimmich, David W.T.Rippin, A Study of Dynamic System Modeling, Comput. Chem. Engng, Vol. 12, No.5, 1988, pp455-460,;
John E Pace,Use of Speed Up Modeling in the Commercialization of a New Polymerization Reator Design, GE Plastics;
C Ganna Varapu, et al. Simulation,Optimization and Control System Design for An Industrial Process, Chem Eng Symposium Series,No.114;
P.W.Galier, L.B.Evan, H.I.Britt, J.F.Boston, and P.K.Gupta, “ASPEN: Advanced Capabilities for Modeling and Simulation of Industrial Process”, Computer Applications to Chemical Engineering, ACS Symposium Series 124, 1980, pp293-308;
王健红等,化工装置动态模拟与优化工艺软件平台,化工进展. 1997第4期;
王健红等,石油馏分宏观性质计算的实组分切割法,第七届全国化学工程论文报告会’94北京论文集,pp1211-1214;
Wang Jianhong, Yaofei, Yang Zurong. Generalized Rigorous Real-time Simulation for Dynamic Distillation Process. ’94 Materials & Technology, BUCT-CNU, Beijing;
王健红,一种适应于状态方程求解的高阶收敛迭代算法,计算机与应用化学,1994第1期;
Wang Jingde, Wang Jianhong, Yao Fei, Ding Zhong Wei, Shi Baochang. Real-Time Dynamic Simulation of Free-Radical Polymerization. CIESC AIChE’97, 1997, Beijing, pp1205-1208;
王健红等,自由基聚合反应过程的超实时动态模拟,化工进展,1997第6期;
Zhou Li, Han zhenwei and Yu Kuotsung, A New Strategy of Net Decomposition in Process Simulation. Comput.Chem.Engng, Vol 12, No.6,,1988, pp581-588;
Li Zhaoquan, Wang Jianhong, Ding Zhongwe, Dynamic Simulation of ε-Caprolactam Polymerization , Proceedings of CUCHE-3,Beijing , Tsinghua University Press,2000;
Xu Ying, Yao Fei, Wang Jianhong, A flash model and it’s numerical scheme in dynamic process simulation, The third international joint symposium between Beijing University of Chemical Technology and Chungnam National University,Beijing China,October 7-8,1996;
Ma Runyu, Yao Fei, Wang Jianhong, Ding Zhongwei, System Synthesis and Chemical Process Conservation, ICIK’95;
杨友麒,化工过程模拟,化工进展,1996,No.3,pp 4-5;
江燕斌、钱宇、张培荣,基于知识的建模和模拟(Ⅱ)-芳烃抽提流程模拟和改造,现代化工增刊,1999过程系统工程年会论文集,北京,1999,pp46-50;
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