The molecular statistical theory of infinitely dilute solutions based on the ion-dipole model with Lennard-Jones interaction

Serguei Lvov, Viktor A. Umniashkin, Andrei Sharygin, Miroslav F. Holovko

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)283-305
Number of pages23
JournalFluid Phase Equilibria
Volume58
Issue number3
DOIs
StatePublished - Jan 1 1990

Fingerprint

Ions
dipoles
Dilution
dilution
Thermodynamic properties
thermodynamic properties
Gases
approximation
ions
reference systems
Chemical potential
Solvation
interactions
Compressibility
gases
Density (specific gravity)
compressibility
Specific heat
solvation
Electrostatics

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Lvov, Serguei ; Umniashkin, Viktor A. ; Sharygin, Andrei ; Holovko, Miroslav F. / The molecular statistical theory of infinitely dilute solutions based on the ion-dipole model with Lennard-Jones interaction. In: Fluid Phase Equilibria. 1990 ; Vol. 58, No. 3. pp. 283-305.
@article{6726077ca6cc478bad78fbbd5f9295ec,
title = "The molecular statistical theory of infinitely dilute solutions based on the ion-dipole model with Lennard-Jones interaction",
abstract = "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.",
author = "Serguei Lvov and Umniashkin, {Viktor A.} and Andrei Sharygin and Holovko, {Miroslav F.}",
year = "1990",
month = "1",
day = "1",
doi = "10.1016/0378-3812(90)85137-Y",
language = "English (US)",
volume = "58",
pages = "283--305",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",
number = "3",

}

The molecular statistical theory of infinitely dilute solutions based on the ion-dipole model with Lennard-Jones interaction. / Lvov, Serguei; Umniashkin, Viktor A.; Sharygin, Andrei; Holovko, Miroslav F.

In: Fluid Phase Equilibria, Vol. 58, No. 3, 01.01.1990, p. 283-305.

Research output: Contribution to journalArticle

TY - JOUR

T1 - The molecular statistical theory of infinitely dilute solutions based on the ion-dipole model with Lennard-Jones interaction

AU - Lvov, Serguei

AU - Umniashkin, Viktor A.

AU - Sharygin, Andrei

AU - Holovko, Miroslav F.

PY - 1990/1/1

Y1 - 1990/1/1

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.

UR - http://www.scopus.com/inward/record.url?scp=0025438441&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0025438441&partnerID=8YFLogxK

U2 - 10.1016/0378-3812(90)85137-Y

DO - 10.1016/0378-3812(90)85137-Y

M3 - Article

AN - SCOPUS:0025438441

VL - 58

SP - 283

EP - 305

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

IS - 3

ER -