Universal calculational recipe for solvent-mediated potential: based on a combination of integral equation theory and density functional theory

doi:10.1016/j.cplett.2004.05.059

Chemical Physics Letters

Volume 392, Issues 1–3, 1 July 2004, Pages 110-115

https://doi.org/10.1016/j.cplett.2004.05.059 Get rights and content

Abstract

A universal formalism, which enables calculation of solvent-mediated potential (SMP) between two equal or non-equal solute particles with any shape immersed in solvent reservior consisting of atomic particle and/or polymer chain or their mixture, is proposed by importing a density functional theory externally into OZ equation systems. Only if size asymmetry of the solvent bath components is moderate, the present formalism can calculate the SMP in any complex fluids at the present development stage of statistical mechanics, and therefore avoids all of limitations of previous approaches for SMP. Preliminary calculation indicates the reliability of the present formalism.

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Acknowledgements

It is a pleasure for the author to thank the reviewer for the comments on which the revised version of the present Letter is based upon. This Project is supported by National Natural Science Foundation of China (Grant No. 20206033).

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Universal calculational recipe for solvent-mediated potential: based on a combination of integral equation theory and density functional theory

Abstract

Section snippets

Acknowledgements

Physica A

Physica A

Physica A

Phys. Lett. A

Chem. Phys. Lett.

J. Chem. Phys.

Phys. Rev. E

J. Phys.: Condens. Matter

Phys. Rev. E

J. Chem. Phys.

J. Chem. Phys.

Phys. Rev. E