文献类型：期刊文献

中文题名：Modeling p VT Properties and Vapor-Liquid Equilibrium of Ionic Liquids Using Cubic-plus-association Equation of State

英文题名：Modeling pVT properties and vapor-liquid equilibrium of ionic liquids using cubic-plus-association equation of state

作者：Ma, Jun[1]; Li, Jinlong[1]; Fan, Dongfu[1]; Peng, Changjun[1]; Liu, Honglai[1]; Hu, Ying[1]

机构：[1] State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China

年份：2011

卷号：19

期号：6

起止页码：1009

中文期刊名：Chinese Journal of Chemical Engineering

外文期刊名：Chinese Journal of Chemical Engineering

收录：CSTPCD;;EI(收录号：20120314685334);Scopus;CSCD:【CSCD2011_2012】；

基金：Supported by the National Natural Science Foundation of China （20876041, 20736002）, the National Basic Research Program of China （2009CB219902）, the Program for Changjiang Scholars and Innovative Research Team in University of China （Grant IRT0721） and the Programme of Introducing Talents of Discipline to Universities （Grant B08021） of China.

语种：英文

中文关键词：cubic-plus-association; equation of state; ionic liquids; vapor-liquid equilibrium

外文关键词：Equations of state of liquids - Phase equilibria - Thermodynamic properties - Binary mixtures

摘要：Combining Peng-Robinson （PR） equation of state （EoS） with an association model derived from shield-sticky method （SSM） by Liu et al., a new cubic-plus-association （CPA） EoS is proposed to describe the ther-modynamic properties of pure ionic liquids （ILs） and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria （VLE） for binary mixtures of ILs ＋ non-associating solvents and ＋ associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs ＋ non-associating mixtures from CPA, lattice-fluid （LF） and square-well chain fluids with variable range （SWCF-VR） EoSs are compared.
Combining Peng-Robinson (PR) equation of state (EoS) with an association model derived from shield-sticky method (SSM) by Liu et al., a new cubic-plus-association (CPA) EoS is proposed to describe the thermodynamic properties of pure ionic liquids (ILs) and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall average deviation is 0.22. The model parameter b for homologous ILs shows a good linear relationship with their molecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria (VLE) for binary mixtures of ILs + non-associating solvents and + associating solvents are obtained with the overall average deviation of vapor pressure 2.91 and 7.01, respectively. In addition, VLE results for ILs + non-associating mixtures from CPA, lattice-fluid (LF) and square-well chain fluids with variable range (SWCF-VR) EoSs are compared. ? 2011 Chemical Industry and Engineering Society of China (CIESC) and Chemical Industry Press (CIP).