An overview of the performance of the COSMO-RS approach in predicting the activity coefficients of molecular solutes in ionic liquids and derived properties at infinite …
K Paduszyński - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
This paper reports a comprehensive evaluation of the conductor-like screening model for
real solvents (COSMO-RS) in predicting infinite dilution activity coefficients (γ∞) of …
real solvents (COSMO-RS) in predicting infinite dilution activity coefficients (γ∞) of …
Determination of physicochemical properties of ionic liquids by gas chromatography
CF Poole, SN Atapattu - Journal of Chromatography A, 2021 - Elsevier
Over the years room temperature ionic liquids have gained attention as solvents with
favorable environmental and technical features. Both chromatographic and conventional …
favorable environmental and technical features. Both chromatographic and conventional …
Dragonfly-support vector machine for regression modeling of the activity coefficient at infinite dilution of solutes in imidazolium ionic liquids using σ-profile descriptors
H Benimam, CS Moussa, M Hentabli… - Journal of Chemical & …, 2020 - ACS Publications
Ionic liquids (ILs) have shown remarkable potential for applications in separation, such as
extractive distillation and liquid–liquid extraction. Crucial to these applications is the …
extractive distillation and liquid–liquid extraction. Crucial to these applications is the …
In silico calculation of infinite dilution activity coefficients of molecular solutes in ionic liquids: critical review of current methods and new models based on three …
K Paduszynski - Journal of chemical information and modeling, 2016 - ACS Publications
The aim of the paper is to address all the disadvantages of currently available models for
calculating infinite dilution activity coefficients (γ∞) of molecular solutes in ionic liquids …
calculating infinite dilution activity coefficients (γ∞) of molecular solutes in ionic liquids …
Predicting Abraham model solvent coefficients
JC Bradley, MH Abraham, WE Acree… - Chemistry Central …, 2015 - Springer
Abstract Background The Abraham general solvation model can be used in a broad set of
scenarios involving partitioning and solubility, yet is limited to a set of solvents with …
scenarios involving partitioning and solubility, yet is limited to a set of solvents with …
Gas-solvent and water-solvent partition of trans-stilbene at 298 K
MH Abraham, WE Acree Jr - Journal of Molecular Liquids, 2017 - Elsevier
We start with literature data on gas to solvent partition of trans-stilbene, as log K, for 52
solvents. The log K values can be converted into corresponding water to solvent partitions …
solvents. The log K values can be converted into corresponding water to solvent partitions …
Ion-specific equation coefficient version of the Abraham model for ionic liquid solvents: determination of coefficients for tributylethylphosphonium, 1-butyl-1 …
B Jiang, MY Horton, WE Acree Jr… - Physics and Chemistry …, 2017 - Taylor & Francis
Gas-to-ionic liquid partition coefficient data have been assembled from the published
chemical literature for solutes dissolved in 1-allyl-3-methylimidazolium dicyanamide, 1-allyl …
chemical literature for solutes dissolved in 1-allyl-3-methylimidazolium dicyanamide, 1-allyl …
Activity coefficients at infinite dilution for organic solutes dissolved in two 1-alkylquinuclidinium bis (trifluoromethylsulfonyl) imides bearing alkyl side chains of six and …
A Ayad, F Mutelet, A Negadi, WE Acree Jr… - Journal of Molecular …, 2016 - Elsevier
Infinite dilution activity coefficients and gas-to-liquid partition coefficients are reported for 47
and 45 organic probe molecules dissolved in 1-hexylquinuclidinium bis …
and 45 organic probe molecules dissolved in 1-hexylquinuclidinium bis …
Descriptors for vitamin K3 (menadione); calculation of biological and physicochemical properties
We have used literature values for the solubility of vitamin K3 in organic solvents to obtain
Abraham descriptors for vitamin K3. Although these descriptors themselves are not …
Abraham descriptors for vitamin K3. Although these descriptors themselves are not …
Infinite dilution activity coefficients and gas-to-liquid partition coefficients of organic solutes dissolved in 1-sec-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and in …
Inverse gas chromatography was used to measure infinite dilution activity coefficients and
gas-to-liquid partition coefficients for 48 organic solute probes in either 1-sec-butyl-3 …
gas-to-liquid partition coefficients for 48 organic solute probes in either 1-sec-butyl-3 …