摘要
链烷烃分子结构非常相似,可以认为链烷烃溶液是无热体系,因此其超额吉布斯自由能可以假设为零,由此可以得到不含能量项的简化Vidal混合规则.这一改进混合规则和原来的Vidal混合规则一起构成改进的UNIFACSRK模型.同时,根据NelderMead扩展单形求极值法估算出了23对新的基团交互作用参数.利用估算出的基团参数对43个二元汽液平衡体系的泡点压力和汽相组成进行了预测,大部分体系的泡点压力和汽相组成预测平均偏差都低于5 0%.
The structure of the alkane molecules are very similar to each other, they form a nearly athermal mixture. So, it is reasonable to assume that excess Gibbs freeenergy appearing in the Vidal mixing rule should be equal to zero. According to it, we can get a modified Vidal mixing rule. Both this modified mixing rule and original Vidal mixing rule compose the socalled modified UNIFACSRK model. And the interaction parameters for 23 pares of group have been estimated by means of NelderMead method. Predictions for the bubblepressure and vapor composition of vaporliquid phase equilibrium are performed by means of modified UNIFACSRK model. This calculation includes 43 binary systems. The mean deviations of the calculation of bubblepressure and vapor composition for most systems are below 50%.
出处
《西南师范大学学报（自然科学版）》
CAS
CSCD
北大核心
2003年第3期431-435,共5页
Journal of Southwest China Normal University(Natural Science Edition)
