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Theoretical study of chemical reaction under constant electrochemical potential

Grant number: 20/04340-4
Support type:Scholarships in Brazil - Scientific Initiation
Effective date (Start): October 01, 2020
Effective date (End): September 30, 2021
Field of knowledge:Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
Principal researcher:Gustavo Troiano Feliciano
Grantee:Gabriel Garcia Mazzon
Home 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.

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