Group contribution equation of state based on the lattice fluid theory

S. Mattedi, F. W. Tavares, M. Castier

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A new equation of state, in which the group contribution method appears as an inherent result of the approximations used to generate the model, is studied to calculate phase equilibrium thermodynamic properties. The group contribution equation of state (GC-EOS) is based on the generalized van der Waals theory and combines the Staverman-Guggenheim combinatorial term with an attractive lattice gas expression. By using a data bank of pure substances and binary mixtures of linear hydrocarbons, four different schemes of fitting the parameters of alkane groups (CH3 and CH2) are presented. Consistent with the genesis of the proposed equation, we have found that the interaction energy and hard core volume parameters are not strongly temperature dependent functions. The results show that, with any parameter set obtained from different schemes, the GC-EOS describes vapor pressures of pure linear alkanes up to C12 with less than 4.5% deviation from experimental values. The GC-EOS is also able to describe bubble pressures of binary mixtures of linear alkanes with less than 5% deviation. Predicted vapor pressures of eight heavy hydrocarbons (from C14 to C28) and bubble pressures of highly asymmetric mixtures are in satisfactory agreement with experimental data.

Original languageEnglish
Pages (from-to)116-129
Number of pages14
JournalBrazilian Journal of Chemical Engineering
Volume13
Issue number3
Publication statusPublished - Sep 1996
Externally publishedYes

Fingerprint

Equations of state
Alkanes
Paraffins
Fluids
Hydrocarbons
Binary mixtures
Vapor pressure
Phase equilibria
Thermodynamic properties
Gases
Temperature

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Group contribution equation of state based on the lattice fluid theory. / Mattedi, S.; Tavares, F. W.; Castier, M.

In: Brazilian Journal of Chemical Engineering, Vol. 13, No. 3, 09.1996, p. 116-129.

Research output: Contribution to journalArticle

@article{a5eabecf1c92447c8af7d93461283efd,
title = "Group contribution equation of state based on the lattice fluid theory",
abstract = "A new equation of state, in which the group contribution method appears as an inherent result of the approximations used to generate the model, is studied to calculate phase equilibrium thermodynamic properties. The group contribution equation of state (GC-EOS) is based on the generalized van der Waals theory and combines the Staverman-Guggenheim combinatorial term with an attractive lattice gas expression. By using a data bank of pure substances and binary mixtures of linear hydrocarbons, four different schemes of fitting the parameters of alkane groups (CH3 and CH2) are presented. Consistent with the genesis of the proposed equation, we have found that the interaction energy and hard core volume parameters are not strongly temperature dependent functions. The results show that, with any parameter set obtained from different schemes, the GC-EOS describes vapor pressures of pure linear alkanes up to C12 with less than 4.5{\%} deviation from experimental values. The GC-EOS is also able to describe bubble pressures of binary mixtures of linear alkanes with less than 5{\%} deviation. Predicted vapor pressures of eight heavy hydrocarbons (from C14 to C28) and bubble pressures of highly asymmetric mixtures are in satisfactory agreement with experimental data.",
author = "S. Mattedi and Tavares, {F. W.} and M. Castier",
year = "1996",
month = "9",
language = "English",
volume = "13",
pages = "116--129",
journal = "Brazilian Journal of Chemical Engineering",
issn = "0104-6632",
publisher = "Association Brasiliera de Eng. Quimica / Braz. Soc. Chem. Eng.",
number = "3",

}

TY - JOUR

T1 - Group contribution equation of state based on the lattice fluid theory

AU - Mattedi, S.

AU - Tavares, F. W.

AU - Castier, M.

PY - 1996/9

Y1 - 1996/9

N2 - A new equation of state, in which the group contribution method appears as an inherent result of the approximations used to generate the model, is studied to calculate phase equilibrium thermodynamic properties. The group contribution equation of state (GC-EOS) is based on the generalized van der Waals theory and combines the Staverman-Guggenheim combinatorial term with an attractive lattice gas expression. By using a data bank of pure substances and binary mixtures of linear hydrocarbons, four different schemes of fitting the parameters of alkane groups (CH3 and CH2) are presented. Consistent with the genesis of the proposed equation, we have found that the interaction energy and hard core volume parameters are not strongly temperature dependent functions. The results show that, with any parameter set obtained from different schemes, the GC-EOS describes vapor pressures of pure linear alkanes up to C12 with less than 4.5% deviation from experimental values. The GC-EOS is also able to describe bubble pressures of binary mixtures of linear alkanes with less than 5% deviation. Predicted vapor pressures of eight heavy hydrocarbons (from C14 to C28) and bubble pressures of highly asymmetric mixtures are in satisfactory agreement with experimental data.

AB - A new equation of state, in which the group contribution method appears as an inherent result of the approximations used to generate the model, is studied to calculate phase equilibrium thermodynamic properties. The group contribution equation of state (GC-EOS) is based on the generalized van der Waals theory and combines the Staverman-Guggenheim combinatorial term with an attractive lattice gas expression. By using a data bank of pure substances and binary mixtures of linear hydrocarbons, four different schemes of fitting the parameters of alkane groups (CH3 and CH2) are presented. Consistent with the genesis of the proposed equation, we have found that the interaction energy and hard core volume parameters are not strongly temperature dependent functions. The results show that, with any parameter set obtained from different schemes, the GC-EOS describes vapor pressures of pure linear alkanes up to C12 with less than 4.5% deviation from experimental values. The GC-EOS is also able to describe bubble pressures of binary mixtures of linear alkanes with less than 5% deviation. Predicted vapor pressures of eight heavy hydrocarbons (from C14 to C28) and bubble pressures of highly asymmetric mixtures are in satisfactory agreement with experimental data.

UR - http://www.scopus.com/inward/record.url?scp=0030244376&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0030244376&partnerID=8YFLogxK

M3 - Article

VL - 13

SP - 116

EP - 129

JO - Brazilian Journal of Chemical Engineering

JF - Brazilian Journal of Chemical Engineering

SN - 0104-6632

IS - 3

ER -