Modeling confined fluids with the multicomponent potential theory of adsorption and the SAFT-VR Mie equation of state

Author(s)

AlYazidi, Ahmed ^[1] ; Franco, Luis F. M. ^[2] ; Economou, Ioannis G. ^[1] ; Castier, Marcelo ^{[1, 3]}

Affiliation

^[1] Texas A&M Univ Qatar, Chem Engn Program, POB 23874, Doha - Qatar

^[2] Univ Estadual Campinas, Fac Engn Quim, Campinas, SP - Brazil

^[3] Univ Paraguayo Alemana, Lope de Vega 1279, San Lorenzo - Paraguay

• Document type: Journal article
• Source: Fluid Phase Equilibria; v. 534, APR 15 2021.
• Web of Science Citations: 0

Abstract

In this work, the SAFT-VR Mie equation of state is used in conjunction with the Dubinin-Radushkevich-Astakhov (DRA) and Steele potentials, according to the Multicomponent Potential Theory of Adsorption (MPTA), to model the thermodynamic behavior of fluids confined in porous media. The problem specifications are the temperature, volume, and number of moles of each component, yielding a Helmholtz energy-minimization problem. Calculation results show very good agreement with experimental adsorption data for systems of methane, nitrogen, carbon dioxide, ethane, ethylene, and isobutane adsorbed on activated carbon and molecular sieve. (C) 2021 Elsevier B.V. All rights reserved. (AU)

• FAPESP's process: 18/02713-8 - Molecular dynamics of confined fluids: equilibrium and transport properties
• Grantee: Luís Fernando Mercier Franco
• Support Opportunities: Research Grants - Young Investigators Grants