摘要
超额吉布斯自由能-状态方程模型是继传统的状态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:①HV混合规则是第一个被提出的GE-EoS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,GE-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GE-EoS模型的开发将是重要的发展方向。
The GE-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 GE-EOS models are classified based on different reference states. This paper gives a summary of advantages and disadvantages of the classical models. The Huron-Vidal mixing rule,which is the first GE-EOS 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 MHV1 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 GE-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 of application,GE-EOS models for asymmetric system will be an important direction.
出处
《化工进展》
EI
CAS
CSCD
北大核心
2014年第2期304-308,352,共6页
Chemical Industry and Engineering Progress
基金
国家自然科学基金项目(21176127)
