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Development of an equation of state based on the three-body perturbation theory

Grant number: 18/15834-8
Support Opportunities:Scholarships in Brazil - Scientific Initiation
Start date: December 01, 2018
End date: November 30, 2019
Field of knowledge:Engineering - Chemical Engineering
Principal Investigator:Luís Fernando Mercier Franco
Grantee:Amanda Moraes Rosa
Host Institution: Faculdade de Engenharia Química (FEQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil

Abstract

This project is centered on the development of a new equation of state through the inclusion of the three body contribution into the perturbed potential. This development will be given through a detained study of the triplet correlation function and its inclusion on the Mayer expansion for the perturbed potential. The square-well potential will be used as a simplified representation of the intermolecular interaction. Monte Carlo simulations will be performed to calculate thermodynamic properties to validate the new proposed equation.

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