Quasi-Universal Solubility Behavior of Light Gases in Imidazolium-Based Ionic Liquids with Varying Anions: A Molecular Dynamics Simulation Study

A simple guiding principle for the temperature dependence of the solubility of light gases in imidazolium-based ionic liquids derived from molecular simulations

(2017) Daniela Kerlé et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Screening of ionic liquids for CO2 capture using the COSMO-SAC model

(2015) Bong-Seop Lee et al.   CHEMICAL ENGINEERING SCIENCE

Solubility and diffusivity of H2 and CO2 in the ionic liquid [bmim][PF6]

(2015) Seyed Hamed Barghi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Solubility of carbon dioxide, nitrous oxide and methane in ionic liquids at pressures close to atmospheric

(2014) Yushu Chen et al.   FLUID PHASE EQUILIBRIA

A Monte Carlo Simulation Study To Predict the Solubility of Carbon Dioxide, Hydrogen, and Their Mixture in the Ionic Liquids 1-Alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ([Cnmim+][Tf2N–], n = 4, 6)

(2014) Ramesh Singh et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Gas Solubility in Ionic Liquids

(2013) Zhigang Lei et al.   CHEMICAL REVIEWS

Solubility measurements of hydrogen in 1-butyl-3-methylimidazolium tetrafluoroborate and the effect of carbon dioxide and a selected catalyst on the hydrogen solubility in the ionic liquid

(2013) V.A. Toussaint et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Solubilities of some gases in four immidazolium-based ionic liquids

(2013) Waheed Afzal et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Working Pair Selection of Compression and Absorption Hybrid Cycles through Predicting the Activity Coefficients of Hydrofluorocarbon + Ionic Liquid Systems by the UNIFAC Model

(2012) Li Dong et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Free Volume as the Basis of Gas Solubility and Selectivity in Imidazolium-Based Ionic Liquids

(2012) Matthew S. Shannon et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Theoretical and experimental correlations of gas dissolution, diffusion, and thermodynamic properties in determination of gas permeability and selectivity in supported ionic liquid membranes

(2011) Quan Gan et al.   ADVANCES IN COLLOID AND INTERFACE SCIENCE

Ionic liquids for CO2 capture using COSMO-RS: Effect of structure, properties and molecular interactions on solubility and selectivity

(2011) Kazi Z. Sumon et al.   FLUID PHASE EQUILIBRIA

CO2/N2Selectivity Prediction in Supported Ionic Liquid Membranes (SILMs) by COSMO-RS

(2011) Maria Gonzalez-Miquel et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Validation and Prediction of the Temperature-Dependent Henry's Constant for CO2–Ionic Liquid Systems Using the Conductor-like Screening Model for Realistic Solvation (COSMO-RS)

(2011) Yamini Sudha Sistla et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Investigation on the Solubility of SO2and CO2in Imidazolium-Based Ionic Liquids Using NPT Monte Carlo Simulation

(2011) Ahmadreza. F. Ghobadi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Prediction of gas solubilities in ionic liquids

(2011) Alexander A. Oliferenko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Liquid–liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume, surface area and interaction parameters. Part I

(2010) Rílvia S. Santiago et al.   FLUID PHASE EQUILIBRIA

Measurements of different thermodynamic properties of systems containing ionic liquids and correlation of these properties using modified UNIFAC (Dortmund)

(2010) Silke Nebig et al.   FLUID PHASE EQUILIBRIA

Predictions of cation and anion effects on solubilities, selectivities and permeabilities for CO2 in ionic liquid using COSMO based activity coefficient model

(2010) Yusuke Shimoyama et al.   FLUID PHASE EQUILIBRIA

COSMO-RS as a tool for property prediction of IL mixtures—A review

(2010) Michael Diedenhofen et al.   FLUID PHASE EQUILIBRIA

Liquid–liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume, surface area and interaction parameters. Part II

(2010) Rílvia S. Santiago et al.   FLUID PHASE EQUILIBRIA

Solubilities of gases in ionic liquids using a corresponding-states approach to Kirkwood-Buff solution theory

(2010) Martin D. Ellegaard et al.   FLUID PHASE EQUILIBRIA

Prediction of phase equilibria and excess properties for systems with ionic liquids using modified UNIFAC: Typical results and present status of the modified UNIFAC matrix for ionic liquids

(2010) Silke Nebig et al.   FLUID PHASE EQUILIBRIA

Calculating Thermodynamic Properties of an Ionic Liquid with Monte Carlo Simulations with an Orthorhombic and a Cubic Simulation Box

(2010) Björn Wittich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2009) Jens Abildskov et al.   FLUID PHASE EQUILIBRIA

Prediction or partition coefficients and activity coefficients of two branched compounds using COSMOtherm

(2009) Andreas Klamt et al.   FLUID PHASE EQUILIBRIA

Prediction of phase equilibrium in mixtures containing ionic liquids using UNIFAC

(2009) Efthimia I. Alevizou et al.   FLUID PHASE EQUILIBRIA

Influence of cation and anion structure of the ionic liquid on extraction processes based on activity coefficients at infinite dilution. A review

(2009) Andrzej Marciniak   FLUID PHASE EQUILIBRIA

Mass Transfer and Solubility of CO and H2in Ionic Liquid. Case of [Bmim][PF6] with Gas-Inducing Stirrer Reactor

(2009) Amit Sharma et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

UNIFAC Model for Ionic Liquids

(2009) Zhigang Lei et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion

(2009) M. Tariq et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Thermodynamic properties of CO2 absorption in hydroxyl ammonium ionic liquids at pressures of (100–1600)kPa

(2009) K.A. Kurnia et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Temperature Dependence of the Solubility of Carbon Dioxide in Imidazolium-Based Ionic Liquids

(2009) Daniela Kerlé et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular simulation of ionic liquids: current status and future opportunities

(2009) E J Maginn   JOURNAL OF PHYSICS-CONDENSED MATTER

High pressure phase behavior of carbon dioxide in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and 1-butyl-3-methylimidazolium dicyanamide ionic liquids

(2009) Pedro J. Carvalho et al.   JOURNAL OF SUPERCRITICAL FLUIDS

Solubility of CO2 in dialkylimidazolium dialkylphosphate ionic liquids

(2009) Jelliarko Palgunadi et al.   THERMOCHIMICA ACTA

Screening of ionic liquids to capture CO2by COSMO-RS and experiments

(2008) Xiaochun Zhang et al.   AICHE JOURNAL

Predictive Molecular Thermodynamic Models for Liquid Solvents, Solid Salts, Polymers, and Ionic Liquids

(2008) Zhigang Lei et al.   CHEMICAL REVIEWS

Ionic Liquids: Dissecting the Enthalpies of Vaporization

(2008) Thorsten Köddermann et al.   CHEMPHYSCHEM

Measurement and prediction of activity coefficients at infinite dilution (γ∞), vapor–liquid equilibria (VLE) and excess enthalpies (HE) of binary systems with 1,1-dialkyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide using mod. UNIFAC (Dortmund)

(2008) Silke Nebig et al.   FLUID PHASE EQUILIBRIA

High-Pressure Phase Behavior of Carbon Dioxide with Ionic Liquids: 1-Alkyl-3-methylimidazolium Trifluoromethanesulfonate

(2008) Eun-Kyoung Shin et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Potential energy surface for interactions between two hydrogen molecules

(2008) Konrad Patkowski et al.   JOURNAL OF CHEMICAL PHYSICS

Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: Development and implementation of the continuous fractional component move

(2008) Wei Shi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Atomistic Simulation of the Absorption of Carbon Dioxide and Water in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide ([hmim][Tf2N]

(2008) Wei Shi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modeling the Solubility Behavior of CO2, H2, and Xe in [Cn-mim][Tf2N] Ionic Liquids

(2008) Jordi S. Andreu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Physical and Chemical Absorptions of Carbon Dioxide in Room-Temperature Ionic Liquids

(2008) A. Yokozeki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Correlations of Low-Pressure Carbon Dioxide and Hydrocarbon Solubilities in Imidazolium-, Phosphonium-, and Ammonium-Based Room-Temperature Ionic Liquids. Part 2. Using Activation Energy of Viscosity

(2007) Prem K. Kilaru et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Room-Temperature Ionic Liquids:  Temperature Dependence of Gas Solubility Selectivity

(2007) Alexia Finotello et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH