TY - JOUR
T1 - The molecular statistical theory of infinitely dilute solutions based on the ion-dipole model with Lennard-Jones interaction
AU - Lvov, Sergei N.
AU - Umniashkin, Viktor A.
AU - Sharygin, Andrei
AU - Holovko, Miroslav F.
N1 - Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.
PY - 1990
Y1 - 1990
N2 - The group expansions obtained in the collective variable method are applied to calculate the equilibrium thermodynamic properties of non-polar gases and simple ions dissolved in a liquid polar solvent at infinite dilution of the solute. The non-electrostatic contribution is calculated in the high temperature approximation whereas the electrostatic contribution is calculated from the ion-dipole model in the random phase approximation. The hard sphere model (Mansoori-Carnahan-Starling-Leland approximation) has been chosen as the reference system. Analytical expressions for the thermodynamic functions such as solvation chemical potential, entropy, enthalpy and heat capacity, as well as the partial molar volume, compressibility and expansibility are given. A comparison of the theoretically predicted and experimental values of thermodynamic properties at infinite dilution of aqueous solutions of non-polar gases and simple ions is reported.
AB - The group expansions obtained in the collective variable method are applied to calculate the equilibrium thermodynamic properties of non-polar gases and simple ions dissolved in a liquid polar solvent at infinite dilution of the solute. The non-electrostatic contribution is calculated in the high temperature approximation whereas the electrostatic contribution is calculated from the ion-dipole model in the random phase approximation. The hard sphere model (Mansoori-Carnahan-Starling-Leland approximation) has been chosen as the reference system. Analytical expressions for the thermodynamic functions such as solvation chemical potential, entropy, enthalpy and heat capacity, as well as the partial molar volume, compressibility and expansibility are given. A comparison of the theoretically predicted and experimental values of thermodynamic properties at infinite dilution of aqueous solutions of non-polar gases and simple ions is reported.
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U2 - 10.1016/0378-3812(90)85137-Y
DO - 10.1016/0378-3812(90)85137-Y
M3 - Article
AN - SCOPUS:0025438441
SN - 0378-3812
VL - 58
SP - 283
EP - 305
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
IS - 3
ER -