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.