Agradecimentos: This work was partially supported by São Paulo Research Foundation (FAPESP) grant no. 2018/02713-8 and the Brazilian Coordination for the Improvement of Higher Education Personnel (CAPES). The authors also acknowledge the computer resources made available by the Centro Nacional de...

Agradecimentos: This work was partially supported by São Paulo Research Foundation (FAPESP) grant no. 2018/02713-8 and the Brazilian Coordination for the Improvement of Higher Education Personnel (CAPES). The authors also acknowledge the computer resources made available by the Centro Nacional de Processamento de Alto Desempenho (CENAPAD-SP). This publication was made possible by NPRP grant number 8-1648-2-688 from the Qatar National Research Fund (a member of Qatar Foundation). The statements made herein are solely the responsibility of the authors

Abstract: 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,...

Abstract: 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

COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIOR - CAPES

FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP

2018/02713-8

Fechado