Theoretical study of chemical reaction under constant electrochemical potential

• Grant number: 20/04340-4
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: October 01, 2020
• End date: September 30, 2021
• Field of knowledge: Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
• Principal Investigator: Gustavo Troiano Feliciano
• Grantee: Gabriel Garcia Mazzon
• Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil

Abstract

The study of means to reduce the consumption of fossil fuels is of great interest to science and society, given its finitude. One of the alternatives is the production of methanol from methane in an industrial process already established commercially. However, this is a highly cost process, due to its high temperature and the formation of intermediates. Thus, reducing the energetic cost and looking for ways of direct reaction is of great interest. This project aims to study chemical reactions, in particular the oxidation reaction of methane to methanol, under constant electrochemical potential, in order to understand the mechanism of the reaction and the energy states in each conformation.