Chemical association via exact thermodynamic formulations

Michael E. Fisher; Daniel M. Zuckerman

doi:10.1016/S0009-2614(98)00786-6

Chemical association via exact thermodynamic formulations

Michael E. Fisher
, Daniel M. Zuckerman

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

It can be fruitful to view two-component physical systems of attractive monomers, A and B, "chemically" in terms of a reaction A+B⇌C, where C = AB is an associated pair or complex. We show how to construct free energies in the three-component or chemical picture which, under mass-action equilibration, exactly reproduce any given two-component or "physical" thermodynamics. Order-by-order matching conditions and closed-form chemical representations reveal the freedom available to modify the A-C, B-C, and C-C interactions and to adjust the association constant. The theory (in the simpler one-component, i.e., A ≡ B, case) is illustrated by treating a van der Waals fluid.

Original language	English (US)
Pages (from-to)	461-468
Number of pages	8
Journal	Chemical Physics Letters
Volume	293
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(98)00786-6
State	Published - Sep 4 1998
Externally published	Yes

Funding

The authors thank Professors Harold Friedman and George Stell for their interest in this work, and Dr. Stefan Bekiranov for ongoing discussions and comments on a draft manuscript. Professors Economou, Stell, and Widom kindly commented on the article. The support of the National Science Foundation (through Grant CHE 96-14495) has been appreciated.

Funders	Funder number
Author National Science Foundation National Science Foundation National Institutes of Health National Institutes of Health National Institutes of Health National Institutes of Health National Science Foundation National Science Foundation	CHE 96-14495

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0009-2614(98)00786-6

Cite this

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title = "Chemical association via exact thermodynamic formulations",

abstract = "It can be fruitful to view two-component physical systems of attractive monomers, A and B, {"}chemically{"} in terms of a reaction A+B⇌C, where C = AB is an associated pair or complex. We show how to construct free energies in the three-component or chemical picture which, under mass-action equilibration, exactly reproduce any given two-component or {"}physical{"} thermodynamics. Order-by-order matching conditions and closed-form chemical representations reveal the freedom available to modify the A-C, B-C, and C-C interactions and to adjust the association constant. The theory (in the simpler one-component, i.e., A ≡ B, case) is illustrated by treating a van der Waals fluid.",

author = "Fisher, \{Michael E.\} and Zuckerman, \{Daniel M.\}",

note = "Funding Information: The authors thank Professors Harold Friedman and George Stell for their interest in this work, and Dr. Stefan Bekiranov for ongoing discussions and comments on a draft manuscript. Professors Economou, Stell, and Widom kindly commented on the article. The support of the National Science Foundation (through Grant CHE 96-14495) has been appreciated. ",

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T1 - Chemical association via exact thermodynamic formulations

AU - Fisher, Michael E.

AU - Zuckerman, Daniel M.

N1 - Funding Information: The authors thank Professors Harold Friedman and George Stell for their interest in this work, and Dr. Stefan Bekiranov for ongoing discussions and comments on a draft manuscript. Professors Economou, Stell, and Widom kindly commented on the article. The support of the National Science Foundation (through Grant CHE 96-14495) has been appreciated.

PY - 1998/9/4

Y1 - 1998/9/4

N2 - It can be fruitful to view two-component physical systems of attractive monomers, A and B, "chemically" in terms of a reaction A+B⇌C, where C = AB is an associated pair or complex. We show how to construct free energies in the three-component or chemical picture which, under mass-action equilibration, exactly reproduce any given two-component or "physical" thermodynamics. Order-by-order matching conditions and closed-form chemical representations reveal the freedom available to modify the A-C, B-C, and C-C interactions and to adjust the association constant. The theory (in the simpler one-component, i.e., A ≡ B, case) is illustrated by treating a van der Waals fluid.

AB - It can be fruitful to view two-component physical systems of attractive monomers, A and B, "chemically" in terms of a reaction A+B⇌C, where C = AB is an associated pair or complex. We show how to construct free energies in the three-component or chemical picture which, under mass-action equilibration, exactly reproduce any given two-component or "physical" thermodynamics. Order-by-order matching conditions and closed-form chemical representations reveal the freedom available to modify the A-C, B-C, and C-C interactions and to adjust the association constant. The theory (in the simpler one-component, i.e., A ≡ B, case) is illustrated by treating a van der Waals fluid.

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DO - 10.1016/S0009-2614(98)00786-6

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VL - 293

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Chemical association via exact thermodynamic formulations

Abstract

Funding

ASJC Scopus subject areas

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