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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Author(s):
Goncalves, Andre F. [1] ; Franco, Luis F. M. [1]
Total Authors: 2
Affiliation:
[1] Univ Estadual Campinas, Sch Chem Engn, Av Albert Einstein 500, BR-13083852 Campinas, SP - Brazil
Total Affiliations: 1
Document type: Journal article
Source: Fluid Phase Equilibria; v. 533, APR 1 2021.
Web of Science Citations: 0
Abstract

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)

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