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Molecular simulation of confined fluids for industrial applications

Grant number: 22/00503-1
Support Opportunities:Regular Research Grants
Duration: May 01, 2022 - April 30, 2024
Field of knowledge:Engineering - Chemical Engineering
Convênio/Acordo: University of Manchester
Mobility Program: SPRINT - Projetos de pesquisa - Mobilidade
Principal Investigator:Luís Fernando Mercier Franco
Grantee:Luís Fernando Mercier Franco
Principal researcher abroad: Carlos Avendano Jimenez
Institution abroad: University of Manchester, England
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


The purpose of this SPRINT proposal is to establish a research collaboration between the groups from Dr. Carlos Avendano from The University of Manchester, UK, and from Dr. Luís Fernando Mercier Franco from the University of Campinas, Brazil. Both groups are devoted to molecular simulations and multi-scale modeling applied to chemical engineering problems, with potentially large synergistic and complementary skills. The PI from the UK has a large experience in applying statistical mechanics and molecular simulation techniques to study the properties of complex molecular and colloidal systems, and the PI from Brazil has a large experience with molecular simulations of confined fluids. With our complementary skills, we propose to establish a collaboration centered on the modeling of complex molecular and colloidal systems under confinement towards the design of advanced functional materials for industrial applications. Understanding and predicting the properties of molecular and colloidal systems under confinement is the key towards the manufacture of many advanced materials for industrial and technological applications. (AU)

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