| 基于晶格理论的聚合物溶液活度模型; A activity model for the prediction of solvent activities in polymer solutions | |
| 程振锋 ; 刘庆林 | |
| 2006-07 | |
| 关键词 | EFV模型 UNIFAC-FV模型 超额Gibbs自由能 聚合物溶液 EFV model UNIFAC-FV model solvent activity polymer solutions |
| 英文摘要 | [中文文摘]根据Gibbs-Helmholtz热力学基本关系式,结合溶液晶格模型推导出适合聚合物体系的活度系数模型,该模型方程含有结合项、剩余项和自由体积项。将其与Entropic-FV(EFV)、UNIFAC-FV及UNIFAC模型,同时用于预测14个由PIB、PS和PPO等聚合物与苯、甲苯和丁烷等溶剂组成的聚合物-溶剂体系中溶剂的活度,并与实验数据进行比较,活度的平均偏差分别为3．98%、6．61%、4．92%、19．19%。计算结果显示该模型的预测精度高于其它3种常用的聚合物、溶剂体系的溶剂活度模型。[英文文摘]A simplified activity model for polymer solutions is developed from the thermodynamic relation in this work.The model in- cludes not only a combinatorial term and a residual term but also a free volume one.The calculated results differ significantly between the models with and without taking the free volume effect into consideration.The validity of this new method is demonstrated by compa- ring the estimated activities from the present model equation with those by the EFV,the UNIFAC-FV and the UNIFAC methods.The overall average absolute deviation of solvent activities in 14 polymer solutions was 6.61% for EFV, 4.92% for UNIFAC-FV,19.19% for UNIFAC and 3.98% for the proposed model.It is shown that the new model can yield improved results over the other models and is able to describe the phase behavior for polymer solutions over a wide range of molecular weights,temperatures and densities.; 国家自然科学基金(50243014；50573063) |
| 语种 | 中文 |
| 出版者 | 中国科学院化工冶金研究所、中国科学技术大学 |
| 内容类型 | 期刊论文 |
| 源URL | [http://dspace.xmu.edu.cn/handle/2288/2272]  |
| 专题 | 化学化工－已发表论文 |
| 推荐引用方式 GB/T 7714 | 程振锋,刘庆林. 基于晶格理论的聚合物溶液活度模型, A activity model for the prediction of solvent activities in polymer solutions[J],2006. |
| APA | 程振锋,&刘庆林.(2006).基于晶格理论的聚合物溶液活度模型.. |
| MLA | 程振锋,et al."基于晶格理论的聚合物溶液活度模型".(2006). |
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