High-Temperature Pyrolysis Study of 2-Methyl-2-butanol behind Reflected Shock Wave: Shock Tube and Computational Study.


Journal

The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903

Informations de publication

Date de publication:
08 Jul 2024
Historique:
medline: 8 7 2024
pubmed: 8 7 2024
entrez: 8 7 2024
Statut: aheadofprint

Résumé

Pyrolysis of a branched alcohol, 2-methyl-2-butanol (2M2BOH), was carried out behind the reflected shock wave in the temperature range of 1011-1303 K and under pressures varying from 9.3 to 14.6 atm. Qualitative and quantitative analysis of the postshock mixture was performed using gas chromatography-mass spectrometry and gas chromatography with a flame ionization detector, respectively. The rate coefficients for the C-C and C-O bond cleavage reaction pathways were calculated using the variational transition-state theory. The Rice-Ramsperger-Kessel-Marcus/Master equation was employed to calculate the rate coefficients for the H

Identifiants

pubmed: 38973315
doi: 10.1021/acs.jpca.4c01593
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Auteurs

Subhadarsi Nayak (S)

Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036, India.

Balla Rajakumar (B)

Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036, India.
Centre for Atmospheric and Climate Sciences, Indian Institute of Technology Madras, Chennai 600036, India.

Classifications MeSH