Isochoric heat capacity of confined fluids: The effect of pore width

Author(s)

Nobre, Natalia E. L. ^[1] ; Franco, Luis F. M. ^[1]

Affiliation

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

• Document type: Journal article
• Source: Fluid Phase Equilibria; v. 549, DEC 1 2021.
• Web of Science Citations: 0

Abstract

The confinement in nanospaces alters the thermophysical properties of the confined fluid due to the interaction forces between the solid wall and the fluid particles. In this work, we present a detailed study of the confinement effects on the molar isochoric heat capacity by means of Monte Carlo simulations of the following systems: confined ideal gas, confined hard-sphere fluids, and confined methane. These systems are confined within micro- and mesopores of graphite, represented by a Steele potential. We show that the behavior of the molar isochoric heat capacity changes nonmonotonically with the pore width, and that the single-particle distribution has an intrinsic relation with the value of the heat capacity. (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