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Thermodynamic Modeling of Aqueous Ionic Liquid Solutions Using PC-SAFT Equation of State

https://doi.org/10.1021/ie3012984
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Multicomponent equations of state for electrolytes
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Local composition model for excess Gibbs energy of electrolyte systems. Part I: Single solvent, single completely dissociated electrolyte systems
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Representation of excess properties of electrolyte solutions using a new equation of state
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Zur Theorie der Elektrolyte
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Shuffled complex evolution approach for effective and efficient global minimization
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Thermophysical Properties of Ionic Liquid, 1-Pentyl-3-methylimidazolium Chloride in Water at Different Temperatures
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Electrolyte solutions
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Osmotic coefficients of some imidazolium based ionic liquids in water and acetonitrile at temperature 318.15K
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Modeling aqueous electrolyte solutions
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Measurement and modeling of osmotic coefficients of aqueous solution of ionic liquids using vapor pressure osmometry method
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Modeling ionic liquids and the solubility of gases in them: Recent advances and perspectives
inferredcites →https://doi.org/10.1016/j.fluid.2010.03.041openalex-snapshot
Are safe results obtained when the PC-SAFT equation of state is applied to ordinary pure chemicals?
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A modified polar PHSC model for thermodynamic modeling of gas solubility in ionic liquids
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Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: Study of solid–liquid equilibria in binary systems
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Apparent molar volume and isentropic compressibility of ionic liquid 1-butyl-3-methylimidazolium bromide in water, methanol, and ethanol at T= (298.15 to 318.15) K
inferredcites →https://doi.org/10.1016/j.jct.2008.05.011openalex-snapshot
Osmotic coefficients of aqueous solutions of four ionic liquids at T= (313.15 and 333.15) K
inferredcites →https://doi.org/10.1016/j.jct.2008.07.011openalex-snapshot
Influence of alkyl chain on the thermodynamic properties of aqueous solutions of ionic liquids 1-alkyl-3-methylimidazolium bromide at different temperatures
inferredcites →https://doi.org/10.1016/j.jct.2008.09.005openalex-snapshot
Effect of alkyl chain length and temperature on the thermodynamic properties of ionic liquids 1-alkyl-3-methylimidazolium bromide in aqueous and non-aqueous solutions at different temperatures
inferredcites →https://doi.org/10.1016/j.jct.2010.05.011openalex-snapshot
Synthesis and temperature dependence of physical properties of four pyridinium-based ionic liquids: Influence of the size of the cation
inferredcites →https://doi.org/10.1016/j.jfluchem.2009.11.004openalex-snapshot
New ionic liquids with the bis[bis(pentafluoroethyl)phosphinyl]imide anion, [(C2F5)2P(O)]2N−—Synthesis and characterization
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Syntheses and crystal structures of two ionic liquids with halogen-bonding groups: 4,5-dibromo- and 4,5-diiodo-1-butyl-3-methylimidazolium trifluoromethanesulfonates
inferredcites →https://doi.org/10.1021/ie0003887openalex-snapshot
Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules
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New reference equation of state for associating liquids
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An Equation of State for Electrolyte Solutions Covering Wide Ranges of Temperature, Pressure, and Composition
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Modeling of Activity Coefficients of Aqueous Solutions of Quaternary Ammonium Salts with the Electrolyte-NRTL Equation
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Statistical Associating Fluid Theory Coupled with Restricted Primitive Model To Represent Aqueous Strong Electrolytes
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Modeling of Aqueous Electrolyte Solutions with Perturbed-Chain Statistical Associated Fluid Theory
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Ion-Based Statistical Associating Fluid Theory (SAFT2) to Represent Aqueous Single-Salt Solutions at Temperatures and Pressures up to 473.15 K and 1000 bar
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Modeling of Aqueous Electrolyte Solutions Based on Primitive and First-Order Mean Spherical Approximation
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Modeling of the Thermodynamic Properties of Aqueous Ionic Liquid Solutions with an Equation of State for Square-Well Chain Fluid with Variable Range
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Phase Equilibria for Systems Containing Hydrocarbons, Water, and Salt: An Extended Peng−Robinson Equation of State
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Mean spherical model for asymmetric electrolytes. 2. Thermodynamic properties and the pair correlation function
inferredcites →https://doi.org/10.1021/j100786a038openalex-snapshot
Osmotic and Activity Coefficients for the Symmetrical Tetraalkyl Ammonium Halides in Aqueous Solution at 25°1
inferredcites →https://doi.org/10.1021/j150625a044openalex-snapshot
Mean spherical approximation applied to a simple but nonprimitive model interaction for electrolyte solutions and polar substances
inferredcites →https://doi.org/10.1021/je00051a018openalex-snapshot
Densities of binary aqueous solutions of 306 inorganic substances
inferredcites →https://doi.org/10.1021/je800658vopenalex-snapshot
Activity Coefficients at Infinite Dilution of Organic Compounds in 1-Butyl-3-methylimidazolium Tetrafluoroborate Using Inverse Gas Chromatography
inferredcites →https://doi.org/10.1021/je900457zopenalex-snapshot
Physical Properties of Aqueous Solutions of Ionic Liquid, 1-Propyl-3-methylimidazolium Methyl Sulfate, at T = (298.15 to 328.15) K
inferredcites →https://doi.org/10.1021/jo020503iopenalex-snapshot
Synthesis of Chiral Ionic Liquids from Natural Amino Acids
inferredcites →https://doi.org/10.1021/jo026350gopenalex-snapshot
Syntheses of 1-Alkyl-1,2,4-triazoles and the Formation of Quaternary 1-Alkyl-4-polyfluoroalkyl-1,2,4-triazolium Salts Leading to Ionic Liquids
inferredcites →https://doi.org/10.1021/jp0267003openalex-snapshot
Molecular Dynamics Study of the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate
inferredcites →https://doi.org/10.1021/jp101393kopenalex-snapshot
Reversal of Hofmeister Ordering for Pairing of NH4+ vs Alkylated Ammonium Cations with Halide Anions in Water
inferredcites →https://doi.org/10.1021/jp710351qopenalex-snapshot
Thermodynamic Studies of Ionic Interactions in Aqueous Solutions of Imidazolium-Based Ionic Liquids [Emim][Br] and [Bmim][Cl]
inferredcites →https://doi.org/10.1021/jp991959fopenalex-snapshot
SAFT-VRE: Phase Behavior of Electrolyte Solutions with the Statistical Associating Fluid Theory for Potentials of Variable Range
inferredcites →https://doi.org/10.1039/b204469bopenalex-snapshot
Efficient, halide free synthesis of new, low cost ionic liquids: 1,3-dialkylimidazolium salts containing methyl- and ethyl-sulfate anions
inferredcites →https://doi.org/10.1039/c39920000965openalex-snapshot
Air and water stable 1-ethyl-3-methylimidazolium based ionic liquids
inferredcites →https://doi.org/10.1063/1.1635356openalex-snapshot
Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations: A systematic computer simulation study
inferredcites →https://doi.org/10.1080/00268977500103051openalex-snapshot
Mean spherical model for asymmetric electrolytes
inferredcites →https://doi.org/10.1080/00268978400100191openalex-snapshot
Statistical mechanical models of chemical reactions
inferredcites →https://doi.org/10.1080/00268978500101141openalex-snapshot
Statistical mechanical models of chemical reactions
inferredcites →https://doi.org/10.1090/s0025-5718-97-00777-1openalex-snapshot
A globally convergent Lagrangian barrier algorithm for optimization with general inequality constraints and simple bounds
inferredcites →https://doi.org/10.1126/science.1072651openalex-snapshot
Use of Ionic Liquids for π-Conjugated Polymer Electrochemical Devices
inferredcites →https://doi.org/10.1137/0728030openalex-snapshot
A Globally Convergent Augmented Lagrangian Algorithm for Optimization with General Constraints and Simple Bounds
inferredcites →https://doi.org/10.1137/s1052623496303470openalex-snapshot
Convergence Properties of the Nelder--Mead Simplex Method in Low Dimensions

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Activity Coefficient and CO2 Solubility Studies of Aqueous Alkyl Ammonium Salts Using Electrolyte PC-SAFT EOS
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Phase behavior of mixtures involving glassy materials
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Phase diagrams of binary systems containing tricyanomethanide-based ionic liquids and thiophene or pyridine—New experimental data and PC-SAFT modelling
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Density and viscosity study of pyridinium based ionic liquids as potential absorbents for natural refrigerants: Experimental and modelling
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Review and new insights into the application of molecular-based equations of state to water and aqueous solutions
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Modeling the vapor–liquid equilibria and water activity coefficients of alternative refrigerant-absorbent ionic liquid–water pairs for absorption systems
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PρT measurement and PC-SAFT modeling of N,N-dimethyl formamide, N -methyl formamide, N,N-dimethyl acetamide, and ethylenediamine from T = (293.15–423.15) K and pressures up to 35 MPa
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Liquid-liquid equilibrium data for extractive desulfurization using 1-butyl-3-methyl imidazolium thiocyanate, n- alkane and thiophene
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New electrolyte SAFT-VR Morse EOS for prediction of solid-liquid equilibrium in aqueous electrolyte solutions
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How to detect possible pitfalls in ePC-SAFT modelling: Extension to ionic liquids
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Vapor-liquid equilibrium calculations at specified composition, density and temperature with the perturbed chain statistical associating fluid theory (PC-SAFT) equation of state
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Experimental investigation and thermodynamic modeling of equilibrium extraction of gold(III) from hydrochloric acid in 1-butyl-3-methylimidazolium hexafluorophosphate
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Prediction of second order derivative thermodynamic properties of ionic liquids using SAFT-VR Morse equation of state
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Effect of polarity on prediction of second order derivative thermodynamic properties of refrigerants
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High-pressure densities of 2-(dimethylamino) ethanol and 2-(diethylamino) ethanol: Measurement and modeling with new modified Tait and PC-SAFT equations of state
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PρT measurements of 3-aminopropan-1-ol and N-(2-hydroxyethyl)morpholine from (293.15 to 473.15) K and up to 40 MPa and modeling with modified Tait and PC-SAFT equations
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pρT experimental data of 1-methoxypropan-2-ol and 2-(2-hexoxyethoxy) ethanol at temperatures from (293.15 to 473.15) K and pressures up to 40 MPa: modified Tait and PC-SAFT modeling
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PC-SAFT/UNIQUAC model assesses formation condition of methane hydrate in the presence of imidazolium-based ionic liquid systems
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