Modeling the activity coefficient at infinite dilution of water in ionic liquids using artificial neural networks and support vector machines
Sign Up to like & getrecommendations! Published in 2019 at "Neural Computing and Applications"
DOI: 10.1007/s00521-019-04356-w
Abstract: The activity coefficient at infinite dilution of water in ionic liquids is a thermodynamic property of a paramount importance in separation processes. However, accurate modeling of this parameter remains a challenging task due to the… read more here.
Keywords: dilution water; coefficient infinite; infinite dilution; water ... See more keywords
Atomic-Level Topological Indices for Prediction of the Infinite Dilution Activity Coefficients of Oxo Compounds in Water
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-020-00954-8
Abstract: The atomic-level AI topological indices and the modified Xu ( m Xu ) index were utilized for quantitative structure–property relationship (QSPR) modeling of the infinite dilution activity coefficients of 108 oxo compounds in water at… read more here.
Keywords: infinite dilution; activity coefficients; water; oxo compounds ... See more keywords
Thermodynamics and activity coefficients at infinite dilution for organic solutes in the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide
Sign Up to like & getrecommendations! Published in 2018 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2018.06.013
Abstract: Abstract The activity coefficients at infinite dilution, γ 13 ∞ , for 46 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, aldehyde, acetonitrile, pyridine and 1-nitropropane in the ionic liquid… read more here.
Keywords: bmpyr; infinite dilution; liquid; thermodynamics ... See more keywords
Thermodynamic properties of five biofuel-relevant compounds at infinite dilution in water
Sign Up to like & getrecommendations! Published in 2017 at "Fuel"
DOI: 10.1016/j.fuel.2016.11.093
Abstract: Abstract In this work, thermodynamic behavior of five biomass-derived compounds, namely furfural, 2-methylfuran, 2,5-dimethylfuran, methyl vinyl ketone, and allyl alcohol, in highly dilute aqueous solutions has been experimentally investigated. Using the inert gas stripping technique,… read more here.
Keywords: thermodynamic properties; infinite dilution; properties five; water ... See more keywords
An effect of cation's cyano group on interactions between organic solutes and ionic liquids elucidated by thermodynamic data at infinite dilution
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.08.079
Abstract: Abstract New measurements on infinite dilution activity coefficients (γ∞) of 48 molecular solutes (including: alkanes, alkenes, alkynes, aromatics, ethers, alcohols, ketones, pyridine, thiophene, acetonitrile and 1-nitropropane) in 1-(3-cyanopropyl)-3-methylimidazolium dicyanamide ionic liquid (IL) are reported in… read more here.
Keywords: cation; infinite dilution; cyano group; group ... See more keywords
Characterization of the solubilizing ability of short-chained glycol-grafted ammonium and phosphonium ionic liquids
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.112786
Abstract: Abstract Infinite dilution activity coefficients and gas-to-liquid partition coefficients are reported for >40 organic solvents dissolved in (2-methoxyethyl) triethylphosphonium bis(trifluoromethylsulfonyl)imide, (2-methoxyethyl)tributylphosphonium bis(trifluoromethylsulfonyl)imide, and (2-methoxyethyl)triethylammonium bis(trifluoromethylsulfonyl)imide in the temperature range from 323.15 K to 373.15 K. Experimental values… read more here.
Keywords: infinite dilution; bis trifluoromethylsulfonyl; dilution activity; liquids characterization ... See more keywords
Activity Coefficients of Water at Infinite Dilution in Common Oxygenated Solvents
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.0c00108
Abstract: Activity coefficients of water at infinite dilution in 12 common oxygenated solvents (namely methanol, ethanol, propan-1-ol, propan-2-ol, 2-methylpropan-2-ol, propan-2-one, tetrahydrofuran, 1,3-dio... read more here.
Keywords: infinite dilution; activity coefficients; common oxygenated; dilution common ... See more keywords
Thermal and Volumetric Properties of Some C5 and C6 Alkanones at Infinite Dilution in Water
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00035
Abstract: Precise measurements of excess enthalpies and densities of highly dilute aqueous solutions of five C5–C6 alkanones (namely 2-pentanone, 3-pentanone, 3-methyl-2-butanone, 2-hexanone, and 4-methyl-2-pentanone) were carried out using tandem flow mixing calorimetry and vibrating-tube densimetry. The… read more here.
Keywords: infinite dilution; partial molar; water; thermal volumetric ... See more keywords
Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.8b01146
Abstract: Mixing enthalpies and densities of highly dilute aqueous solutions of five lactones (namely γ-butyrolactone (GBL), γ-valerolactone (GVL), α-angelica lactone (AAL), γ-hexalactone (GHL), and δ-hexala... read more here.
Keywords: thermal volumetric; properties five; infinite dilution; lactones infinite ... See more keywords
Temperature-Dependent Thermodynamic Properties of Amino Acids in Aqueous Imidazolium-Based Ionic Liquid
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.9b00902
Abstract: Molecular interactions of amino acids with ionic liquids are significant to study the molecular stability and physicochemical properties of amino acids. Mixtures of amino acids l-leucine and N-acetyl-l-leucine + (0.005, 0.010, 0.030, and 0.050 mol·kg–1)… read more here.
Keywords: ionic liquid; infinite dilution; amino acids; temperature ... See more keywords
New Model to Predict Infinite Dilution Activity Coefficients Based on (∂p/∂x)T,x → 0
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.3c00368
Abstract: Accurate prediction of infinite dilution activity coefficient (γ∞) is essential for the calculation of phase equilibria, solubility, and related properties in molecular thermodynamics. Here, we propose a new model to accurately predict the value of… read more here.
Keywords: dilution activity; infinite dilution; model; new model ... See more keywords