Predicting adsorption isotherms using a two-dimensional statistical associating fluid theory

Alejandro Martinez, Martin Castro, Clare McCabe, Alejandro Gil-Villegas*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

53 Citations (Scopus)

Abstract

A molecular thermodynamics approach is developed in order to describe the adsorption of fluids on solid surfaces. The new theory is based on the statistical associating fluid theory for potentials of variable range [A. Gil-Villegas, J. Chem. Phys. 106, 4168 (1997)] and uses a quasi-two-dimensional approximation to describe the properties of adsorbed fluids. The theory is tested against Gibbs ensemble Monte Carlo simulations and excellent agreement with the theoretical predictions is achieved. Additionally the authors use the new approach to describe the adsorption isotherms for nitrogen and methane on dry activated carbon.

Original languageEnglish
Article number074707
JournalJournal of Chemical Physics
Volume126
Issue number7
DOIs
Publication statusPublished - 21 Feb 2007

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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