摘要
在目前聚合物溶液分子热力学模型基础上,通过分析比较得出几个较好模型,然后利用实验数据优化拟合,筛选出Group-ContributionMothodforestimationofthetatemperatureandphaseEquilibriaofpolymersolution(简称GCM模型)作为今后考察、改进和模型参数基团化的首选模型,并进一步用GCM模型关联了常温下笔者所测的汽液平衡实验数据以及文献中一些系统的汽液平衡数据,得到了可基团化的能量相互作用模型参数。关联结果表明GCM模型对种类广泛的系统的汽液平衡是适用的。
UNIFAC FV model, Elbro FV model and GCM(group contribution method) were
applied to correlate the vapor liquid equilibria for some of solvent/polymer system, the
correlated results were compared with the experimental data. These results show that the new
GCM model is prior to other model. And then, the GCM model was applied to correlate
experiments data of thirteen different systems and others′. The group contribution interaction
energy parameters δε ij for solvnet/polymer systems were determined, these results
show that the GCM model is applied for vapor liquid equilibria of many solvent/polymer
systems.
出处
《高分子材料科学与工程》
EI
CAS
CSCD
北大核心
1999年第4期8-11,共4页
Polymer Materials Science & Engineering
关键词
分子热力学
基团贡献
模型
高聚物溶液
molecular thermodynamics, interaction energy model parameter, polymer
solutions