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

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

8 Citations (Scopus)

372 Downloads (Pure)

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.",

keywords = "Combinatorial, Entropy of mixing, Lattice theory",

author = "Krooshof, \{Gerard J.P.\} and Remco Tuinier and With, \{Gijsbertus de\}",

year = "2018",

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doi = "10.1016/j.molliq.2018.06.092",

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T1 - Generalization of Guggenheim's combinatorial activity coefficient equation

AU - Krooshof, Gerard J.P.

AU - Tuinier, Remco

AU - With, Gijsbertus de

PY - 2018/9/15

Y1 - 2018/9/15

N2 - 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.

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

UR - https://www.scopus.com/pages/publications/85049322997

U2 - 10.1016/j.molliq.2018.06.092

DO - 10.1016/j.molliq.2018.06.092

M3 - Article

AN - SCOPUS:85049322997

SN - 0167-7322

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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