DOI: 10.1063/1.1670264. Medium-Dependent Intermolecular Potential for Liquids and Its Use in Obtaining Free Energy and Entropy

Medium-Dependent Intermolecular Potential for Liquids and Its Use in Obtaining Free Energy and Entropy

10.1063/1.1670264

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

It has been found that even in nonpolar liquids an intermolecular pair potential derived from gas properties may be affected by as much as 10%–40% due to the medium effect of the liquid, and many-atom forces. An effective intermolecular pair potential for liquids was recently derived. It takes into account the local solvation structure around the two molecules in an analytical form with an explicit dependence on the relative sizes of the solute and solvent molecules. Its parameters are specified mainly in terms of some macroscopic properties. The potential is defined so as to reproduce the total thermodynamic energy of the system correctly. In the present paper, based on a statistical-mechanical perturbation theory, it is shown that the effective pair potential may be used as though it were an ordinary two-body potential, not only in the total energy, but also in quantities like free energy and entropy.

Bibliography

HalicioÄlu, T., & SinanoÄlu, O. (1968). Medium-Dependent Intermolecular Potential for Liquids and Its Use in Obtaining Free Energy and Entropy. The Journal of Chemical Physics, 49(3), 996â1000.

Authors 2

Timur Halicioğlu (first)
Oktay Sinanoğlu (additional)

References 10 Referenced 10

10.1103/RevModPhys.25.831 / Rev. Mod. Phys. (1953)
10.1063/1.1776947 / J. Chem. Phys. (1963)
10.1016/0009-2614(67)80012-5 / Chem. Phys. Letters (1967)
{'key': '2024020904055685200_r3a', 'first-page': '283', 'volume': '12', 'year': '1967', 'journal-title': 'Advan. Chem. Phys.'} / Advan. Chem. Phys. (1967)
{'key': '2024020904055685200_r4'}
10.1021/ja01618a001 / J. Am. Chem. Soc. (1955)
10.1063/1.1732523 / J. Chem. Phys. (1962)
{'key': '2024020904055685200_r6'}
10.1063/1.1740409 / J. Chem. Phys. (1954)
{'key': '2024020904055685200_r8'}

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 2:22 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 11:08 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 7:02 p.m.)
Issued	57 years ago (Aug. 1, 1968)
Published	57 years ago (Aug. 1, 1968)
Published Print	57 years ago (Aug. 1, 1968)

Funders 0

None

BibTeX

@article{Halicio_lu_1968, title={Medium-Dependent Intermolecular Potential for Liquids and Its Use in Obtaining Free Energy and Entropy}, volume={49}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1670264}, DOI={10.1063/1.1670264}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Halicioğlu, Timur and Sinanoğlu, Oktay}, year={1968}, month=aug, pages={996–1000} }

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