乙烯淤浆聚合体系的物性计算方法.PDF

会议征文范围: 化工物性与传递现象 乙烯淤浆聚合体系的物性计算方法 顾雪萍，沈 航，冯连芳 (浙江大学化学工程与生物工程学系 聚合反应工程国家重点实验室 杭州 310027) 摘要：乙烯淤浆聚合反应体系的流程模拟与优化过程中汽液相平衡的准确计算影响到聚合反应速率和聚合物 分子量。通过再参数化PC-SAFT 状态方程，建立了乙烯淤浆聚合体系物性的计算方法。以文献数据为基准， 利用Polymers Plus 软件平台，分别得到了乙烯、氢气、己烷、聚乙烯、氮气纯组分的PC-SAFT 方程的模型 参数,并在准确确定纯组分模型参数的基础上，得到乙烯-己烷、氢气-己烷、氮气-己烷、以及聚乙烯-乙烯、 聚乙烯-己烷两两组分二元交互系数。计算结果和文献数据比较表明，采用再参数化PC-SAFT 状态方程可以 准确计算乙烯淤浆聚合反应体系的纯组分热力学性质和组分之间的相平衡。 关键词：PC-SAFT；物性计算；相平衡；乙烯淤浆聚合 中图分类号 TQ316.3 文献标识码 A 文章编号 Modeling ethylene slurry polymerization system Using PC-SAFT equation of state GU Xueping,SHEN Hang, FENG Lianfang （Department of Biochemical and Chemical Engineering, State Key Laboratory of Polymer Reaction Engineering, Zhejiang University, Hangzhou 310027, China ） Abstract: Perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS) was applied to predict thermodynamic properties and phase equilibrium data in ethylene slurry polymerization system through Polymer Plus. Pure-component parameters used in the PC-SAFT EOS, such as segment number m, segment diameter σ, reduced interaction energy ε/kB , of ethylene, hexane, hydrogen, polyethylene and nitrogen and binary-interaction coefficient of phase equilibrium between ethylene-hexane, hydrogen-hexane, nitrogen-hexane, polyethylene-ethylene, polyethylene-hexane, were obtained by regression according to literature data. Comparison of calculated results by reparametried PC-SAFT equation with literature data showed that PC-SAFT was reliable in describing phase equilibrium of this system. Keywords: PC-SAFT, property parameter, phase equilibrium, ethylene slurry polymerization 引言 适合采用状态方程模型，基于不同理论的状态 聚合物体系相