炼油技术与工程 ›› 2021, Vol. 51 ›› Issue (11): 38-42.

• 计算机应用 • 上一篇    下一篇

以无限稀释活度系数估算C4-DMF体系Wilson方程二元参数

王益龙   

  1. 上海汉中诺软件科技有限公司,上海市 200120
  • 收稿日期:2021-06-24 修回日期:2021-08-11 出版日期:2021-11-15 发布日期:2021-11-17
  • 作者简介:王益龙,硕士,2014年毕业于华东理工大学,目前任过程控制部高级经理,主要研究炼化行业过程模拟和流程工业模型预测控制技术。联系电话:18917298275,E-mail:yl.wang@hanatech.com.cn。

Estimation of binary parameters of Wilson equation for C4-DMF system by using infinite dilution activity coefficients

Wang Yilong   

  1. Shanghai Hana Tech Software Engineering Co., Ltd., Shanghai 200120
  • Received:2021-06-24 Revised:2021-08-11 Online:2021-11-15 Published:2021-11-17

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摘要： 对C4-二甲基甲酰胺(DMF)体系的热力学方法选择进行了讨论,得出选用Wilson模型最优。物性方法的选择以及二元参数的完整性对流程模拟的准确性至关重要,而部分C4组分与DMF间气液相平衡数据不全且难以获取,为补充Wilson方程缺失的该部分二元交互作用参数,提供了一种从一端无限稀释活度系数γ∞推算另一端无限稀释活度系数的计算方法。利用上述两端无限稀释活度系数,借助Aspen Plus的物性估算系统估算出不同组分对的二元参数。以此拟合的气液平衡曲线与文献获得的两组数据相比,具有较好的精度。应用于丁二烯第一萃取精馏塔,其模拟精度高于UNIFAC物性方法。

关键词: 无限稀释, 活度系数, C4-DMF体系, Wilson方程, 二元参数, 气液平衡, 流程模拟

Abstract: The selection of thermodynamics method for C4-DMF system is discussed, and it is concluded that Wilson model is the best. The selection of physical property methods and the integrity of binary parameters are very important to the accuracy of process simulation. The vapor-liquid equilibrium data of some C4 components and DMF are incomplete and difficult to obtain. In order to supplement the missing binary interaction parameters of Wilson Equation, a calculation method for calculating the infinite dilution activity coefficient γ∞ at one end from that at the other end is provided, and then the binary parameters of different component pairs are estimated with the help of Aspen plus’s Property Estimation System by using the infinite dilution activity coefficient at both ends. The fitted gas-liquid equilibrium curve has better accuracy than the two groups of data obtained in the literature. After application to the simulation of the first extractive distillation column for butadiene extraction, the simulation accuracy is superior to UNIFAC group contribution method.

Key words: infinite dilution, activity coefficient, C4-DMF system, Wilson equation, binary interaction parameters, gas-liquid equilibrium, process simulation