Application of a New Lattice-Fluid Equation of State Based on Chemical-Association Theory for Polymer Systems

被引：6
|
作者：
Xu, Xiaochun
Peng, Changjun
Cao, Guiping
Liu, Honglai [1 ]
Hu, Ying
机构：
[1] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China
来源：
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2009年 / 48卷 / 16期
基金：
中国国家自然科学基金;
关键词：
MOLECULAR-THERMODYNAMIC MODEL; VAPOR-LIQUID-EQUILIBRIUM; HYDROGEN-BONDING MODEL; PHASE-EQUILIBRIA; PURE FLUIDS; IONIC FLUIDS; STATISTICAL THERMODYNAMICS; CHAIN THEORY; MIXTURES; PVT;
D O I：
10.1021/ie900676n
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
In our previous work, a new lattice-fluid equation of state (LF-EoS) was developed and successfully applied to normal fluid systems and ionic liquid systems. In this work, this LF-EoS is further extended to describe thermodynamic properties of polymer systems. First, the model parameters for polymers were determined by fitting experimental pVT data of polymers over a wide temperature and pressure range. Then, the LF-EoS was applied for calculating vapor-liquid equilibrium (VLE) of polymer-solvent systems using one adjustable binary parameter k(12). The solubility of gas in polymer can be calculated up to a high pressure. Moreover, a new parameter C-r was introduced to describe the effect of composition of mixtures on chain length parameter r, and several typical liquid-liquid equilibrium behaviors of polymer solutions can be successfully reproduced.
引用
收藏
页码：7828 / 7837
页数：10
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