Quasiclassical study of a termolecular reaction: a more detailed description of the HO2 collisional stabilization process

• Autor(es): Mogo, César ; Brandão, João ; Wang, Wenli ; Coelho, Daniela ; Rio, Carolina
• Data: 2023
• Identificador Persistente: http://hdl.handle.net/10400.1/19634
• Origem: Sapientia - Universidade do Algarve
• Assunto(s): Hydrogen combustion; Termolecular reactions; HO2 collisional stabilization; Multiple reaction dynamics
• Tipo de Documento: Artigo científico
• Idioma: Inglês
• Contribuidor(es): Sapientia

Descrição

We present detailed studies of the collisional stabilization of the HO*2 radical in a mixture of hydrogen atoms and oxygen molecules using molecular dynamic studies and accurate potential energy surfaces. Following previous work on this process's global temperature and pressure dependencies, we analyze each collider's role and estimate specific rate constants and their temperature dependence.