Generalization of Guggenheim's combinatorial activity coefficient equation

Gerard J.P. Krooshof; Remco Tuinier; Gijsbertus de With

doi:10.1016/j.molliq.2018.06.092

Generalization of Guggenheim's combinatorial activity coefficient equation

Gerard J.P. Krooshof, Remco Tuinier, Gijsbertus de With

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Abstract

We revisit Guggenheim's theory to demonstrate that the change in Gibbs energy of athermally mixing molecules can be generalized into a model that requires only the mole fraction, volume and contact area of the various molecules. Subsequently, we obtain a general formula for the combinatorial activity coefficient for mixtures of molecules differing in size and shape.

Original language	English
Pages (from-to)	467-471
Number of pages	5
Journal	Journal of Molecular Liquids
Volume	266
DOIs	https://doi.org/10.1016/j.molliq.2018.06.092
Publication status	Published - 15 Sept 2018

Keywords

Combinatorial
Entropy of mixing
Lattice theory

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10.1016/j.molliq.2018.06.092

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title = "Generalization of Guggenheim's combinatorial activity coefficient equation",

abstract = "We revisit Guggenheim's theory to demonstrate that the change in Gibbs energy of athermally mixing molecules can be generalized into a model that requires only the mole fraction, volume and contact area of the various molecules. Subsequently, we obtain a general formula for the combinatorial activity coefficient for mixtures of molecules differing in size and shape.",

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AU - Tuinier, Remco

AU - With, Gijsbertus de

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AB - We revisit Guggenheim's theory to demonstrate that the change in Gibbs energy of athermally mixing molecules can be generalized into a model that requires only the mole fraction, volume and contact area of the various molecules. Subsequently, we obtain a general formula for the combinatorial activity coefficient for mixtures of molecules differing in size and shape.

KW - Combinatorial

KW - Entropy of mixing

KW - Lattice theory

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DO - 10.1016/j.molliq.2018.06.092

M3 - Article

AN - SCOPUS:85049322997

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VL - 266

SP - 467

EP - 471

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

ER -

Generalization of Guggenheim's combinatorial activity coefficient equation

Abstract

Keywords

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