A model to predict adsorption of mixtures coupled with SAFT-VR Mie Equation of state

Autor(es)

Araujo, Isa S. ^[1] ; Franco, Luis F. M. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Sch Chem Engn, Av Albert Einstein 500, BR-13083852 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Fluid Phase Equilibria; v. 496, p. 61-68, SEP 15 2019.
• Citações Web of Science: 0

Resumo

We extend the Statistical Associating Fluid Theory for a Mie potential with a Variable Range (SAFT-VR Mie) equation of state for the prediction of multicomponent adsorption isotherms. A generalization for adsorbed mixtures of the model proposed by Franco et al. (Langmuir, 33, 11291-11298, 2017) is obtained through the derivation of the Helmholtz free energy contribution due to the interaction between the fluid mixture and the wall, which is considered as a square-well potential. The resulting model is completely predictive for mixtures and takes into account the pore size and geometry, and the wall-fluid interaction parameters. These parameters are calculated with combining rules using the pure component wall-fluid interaction parameters. The proposed model is applied to different systems: binary mixtures of methane, ethane, ethylene, and propane adsorbed in a carbon molecular sieve, nitrogen and methane on a Metal-Organic Framework (MOF), and a ternary mixture of methane, nitrogen, and hydrogen adsorbed in activated carbon. The predicted adsorption isotherms match the experimental data reasonably well, proving that the theoretical framework on which the proposed model is based comprises a promising and adequate strategy. (C) 2019 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 18/02713-8 - Dinâmica molecular de fluidos confinados: propriedades de equilíbrio e de transporte
• Beneficiário: Luís Fernando Mercier Franco
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores