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Nanoconfined fluids derivative properties calculation

Grant number: 21/02076-0
Support Opportunities:Scholarships in Brazil - Scientific Initiation
Effective date (Start): May 01, 2021
Effective date (End): 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


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.

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