On the conversion of the confined ideal gas distribution between the canonical and the grand canonical ensembles

Autor(es)

Goncalves, Andre F. ^[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. 533, APR 1 2021.
• Citações Web of Science: 0

Resumo

In this short communication, we show that the analytical solution for the single-particle density of a confined ideal gas within the grand canonical ensemble can be derived from its correlate within the canonical ensemble, without resorting to the Density Functional Theory, avoiding the inherent complications in the transformation between these ensembles. Framing the adsorption phenomenon as a phase equilibrium problem, we then show that both distributions are equal at the same thermodynamic state. (C) 2021 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