Nanoconfined fluids derivative properties calculation

• Grant number: 21/02076-0
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: May 01, 2021
• End date: June 30, 2022
• Field of knowledge: Engineering - Chemical Engineering
• Principal Investigator: Luís Fernando Mercier Franco
• Grantee: Kieran Kubota
• Host Institution: Faculdade de Engenharia Química (FEQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated research grant: 18/02713-8 - Molecular dynamics of confined fluids: equilibrium and transport properties, AP.JP
• Associated scholarship(s): 21/11524-7 - Molecular dynamics of confined fluids: derivative properties calculation, BE.EP.IC

Abstract

As for the transport and equilibrium properties vary spatially in confined fluids, so do the derivative properties. In this undergraduate research project, derivative properties, such as isochoric heat capacity, isothermal compressibility, Joule-Thomson coefficient, and speed of sound, will be calculated for Lennard-Jones fluids conifined by slit-nanopores. These properties will be calculated at different positions within the pore to understand the effect of confinement. The solid-fluid interaction parameters will be varied to analyses its influence on those derivative properties.