超额吉布斯自由能-状态方程模型的研究进展.pdf

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CHEMICAL INDUSTRY AND ENGINEERING PROGRESS
2014年第3卷第2期
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进展与述评
超额吉布斯自由能-状态方程模型的研究进展
青岛科技大学炼油化工高新技术研究所,山东青岛266042)
摘要:超额吉布斯自由能-状た方程模型是然传统的状た方程法和活度系数法之后计算和预测相平衡的一个新思
路。本文根据参考态的不同,将超额吉布斯自由能-状态方程模型进行了分类,并且重点对其中经典模型的优缺
点进行了分析和总结。包括:HV混合規则是第一个被提出的-ES模型,它需要重新回归模型参数;②WS
混合规则引入第二维里系数,具有很强的理论依据;③MHV1和MHV2混合规则,可以直接使用活度系数模型
现有的参数;④LCVM型混合规则消除了状态方程和活度系数模型的组合项差异,对非对称体系相平衡的表现
非常好。文章指出,-EoS模型的改进可以从改进状态方程、改进活度系数模型和扩充活度系数参数表3个方
面着手。为了适应现在应用的需要,针对非对称体系的G-EoS模型的开发将是重要的发展方向。
关键词:F-EoS模型;混合规则;相平衡;状态方程;活度系数模型
中图分类号:0642.42文献标志码:A文章编号:1000-6613(2014)02-0304-06
DOl:10.39691.1Ss.1000-6613.2014.02.006
Research progress of G"-EOS models
LAN ue, XIA Li, XIANG Shuguang
( Hi-tech Institute for Petroleum and Chemical Industry, Qingdao University of Science and Technology, Qingdao
266042, Shandong, China
Abstract: The G-EOS model is a new idea to calculate and predict the phase equilibria with respect to
the traditional methods of equation of states and activity coefficient models. The G-EOS models are
classified based on different reference states. This paper gives a summary of advantages an
disadvantages of the classical models. The Huron-vidal mixing rule, which is the first GEOS model
needs to refit the parameters of activity coefficient models. The Wong- - Sandler mixing rule introduces
the second virial coefficient, and has a good theoretical basis. The MHVI and MHV2 mixing rules can
use existing parameters of activity coefficient models directly. The LCVM type mixing rules eliminate
the difference of combinatorial terms between the equation of state and activity coefficient model, so
that they have excellent performance to predict phase equilibria of asymmetric system. There are three
methods to improve the G-EOS models, which are improving the equation of states, amending the
activity coefficient models and expanding the paremeter tables. In order to meet the needs o
application, G-EOS models for asymmetric system will be an important direction
Key words: G-EOS models: mixing rules; phase equilibria; equation of state; activity coefficient
mode
相半衡的计算有两种方法,即状态方程法和活
度系数法。状态方程法可以适用于压力范围较大的收稿日期:2013-98-15:修改稿日期:2013090
相半衡计算。针对混合物的相平衡进行计算中,必
基金项目:国家自然科学基金项目(21176127)
第一作者:兰?(1989一),女,硕士研究生。联系人:项唱光,教授
须使用相应的混合规则。对于强极性体系和强不对博士生导师。E-mailxsy(@qust.edu.cn