Correlation of phase equilibria and liquid densities for gases with ionic liquids

被引：26

作者：

Abildskov, Jens ^{[1
]}

Ellegaard, Martin D. ^{[1
]}

O'Connell, John P. ^{[2
]}

机构：

[1] CAPEC, Dept Chem & Biochem Engn, DTU, DK-2800 Lyngby, Denmark

[2] Univ Virginia, Dept Chem Engn, Charlottesville, VA 22904 USA

来源：

FLUID PHASE EQUILIBRIA | 2009年 / 286卷 / 01期

关键词：

Ionic liquids; Ionic liquid density; Gas solubility; Partial molar volume of dissolved gases; Fluctuation solution theory; FLUCTUATION SOLUTION THEORY; EQUATION-OF-STATE; CORRELATION-FUNCTION INTEGRALS; HIGH-PRESSURE; MOLECULAR SIMULATIONS; CARBON-DIOXIDE; ISOTHERMAL COMPRESSIBILITIES; THERMODYNAMIC PROPERTIES; SOLUBILITY; HEXAFLUOROPHOSPHATE;

D O I：

10.1016/j.fluid.2009.08.001

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

We describe a method for correlating and estimating gas solubilities and liquid densities of ionic liquids based on a corresponding-states form for direct correlation function integrals (DCFIs) from fluctuation solution theory, as previously applied to nonionic systems. A quantitative description is obtained for the volumetric behavior of pure liquids at elevated pressures. Solubilities and partial molar Volumes are given over wide ranges of conditions using only pure component information and a binary parameter for hydrogen, carbon monoxide, oxygen and methane in the ionic liquids 1-butyl-3-methyl-imidazolium hexafluorophosphate, [bmim][PF6], and 1-hexyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide, [hmim][Tf2N]. Comparisons are made with other literature treatments and a predictive approach is described. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：85 / 96

页数：12

共 41 条

[1] Capturing the solubility Behavior of CO2 in ionic liquids by a simple model [J].

Andreu, Jordi S. ;

Vega, Lourdes F. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (43) :16028-16034

[2]

[Anonymous], 1973, Applied statistical mechanics

[3] Solubilities and thermodynamic properties of gases in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate [J].

Anthony, JL ;

Maginn, EJ ;

Brennecke, JF .

JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (29) :7315-7320

[4] Guide to CO2 Separations in Imidazolium-Based Room-Temperature Ionic Liquids [J].

Bara, Jason E. ;

Carlisle, Trevor K. ;

Gabriel, Christopher J. ;

Camper, Dean ;

Finotello, Alexia ;

Gin, Douglas L. ;

Noble, Richard D. .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2009, 48 (06) :2739-2751

[5] Thermodynamic modeling of the phase behavior of binary systems of ionic liquids and carbon dioxide with the group contribution equation of state [J].

Breure, Bianca ;

Bottini, Susana B. ;

Witkamp, Geert-Jan ;

Peters, Cor J. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (51) :14265-14270

[6] EQUILIBRIUM PROPERTIES OF LIQUIDS CONTAINING SUPERCRITICAL SUBSTANCES [J].

CAMPANELLA, EA ;

MATHIAS, PM ;

OCONNELL, JP .

AICHE JOURNAL, 1987, 33 (12) :2057-2066

[7] Structures of ionic liquids dictate the conversion and selectivity of enzymatic glycerolysis: Theoretical characterization by COSMO-RS [J].

Chen, Biqiang ;

Guo, Zheng ;

Tan, Tianwei ;

Xu, Xuebing .

BIOTECHNOLOGY AND BIOENGINEERING, 2008, 99 (01) :18-29

[8] Thermodynamic models from fluctuation solution theory analysis of molecular simulations [J].

Christensen, S. ;

Peters, G. H. ;

Hansen, F. Y. ;

Abildskov, J. .

FLUID PHASE EQUILIBRIA, 2007, 261 (1-2) :185-190

[9] Generation of thermodynamic data for organic liquid mixtures from molecular simulations [J].

Christensen, S. ;

Peters, G. H. ;

Hansen, F. Y. ;

O'Connell, J. P. ;

Abildskov, J. .

MOLECULAR SIMULATION, 2007, 33 (4-5) :449-457

[10] State conditions transferability of vapor-liquid equilibria via fluctuation solution theory with correlation function integrals from molecular dynamics simulation [J].

Christensen, Steen ;

Peters, Gunther H. ;

Hansen, Flemming Y. ;

O'Connell, John P. ;

Abildskov, Jens .

FLUID PHASE EQUILIBRIA, 2007, 260 (02) :169-176

← 1 2 3 4 5 →