Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit-Reference-Cited by-同舟云学术

Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit

Published:2020-09-11 Issue:37 Volume:5 Page:23975-23982
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Vichietti Rafael M.¹^ORCID,Machado Francisco B. C.¹^ORCID,Haiduke Roberto L. A.²

Affiliation:

1. Departamento de Quı́mica, Instituto Tecnológico de Aeronáutica, Praça Marechal Eduardo Gomes, 50, Vila das Acácias, São José dos Campos, São Paulo CEP 12228-900, Brazil

2. Instituto de Quı́mica de São Carlos, Departamento de Quı́mica e Fı́sica Molecular, Universidade de São Paulo, Avenida Trabalhador São Carlense, 400, Parque Arnold Schimidt, São Carlos, São Paulo CEP 13566-590, Brazil

Funder

Minist??rio da Ci??ncia, Tecnologia e Inova????o

Funda????o de Amparo ?? Pesquisa do Estado de S??o Paulo

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.0c03267

Reference44 articles.

1. Third-order anharmonic potential constants and equilibrium structures of the formyl and hydroperoxyl radicals

2. Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO–, CH3 +, and CH3

3. Theoretical characterization of the potential energy surface of the ground state of the HCO system

4. Negative pressure dependence of mass burning rates of H2/CO/O2/diluent flames at low flame temperatures

5. A comprehensive kinetic mechanism for CO, CH2O, and CH3OH combustion

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