Acetonyl Peroxy and Hydroperoxy Self-and Cross-Reactions: Temperature-Dependent Kinetic Parameters, Branching Fractions, and Chaperone Effects

K Zuraski, FJ Grieman, AO Hui, J Cowen… - The Journal of …, 2023 - ACS Publications
The temperature-dependent kinetic parameters, branching fractions, and chaperone effects
of the self-and cross-reactions between acetonyl peroxy (CH3C (O) CH2O2) and hydro …

Self-reaction of acetonyl peroxy radicals and their reaction with Cl atoms

M Assali, C Fittschen - The Journal of Physical Chemistry A, 2022 - ACS Publications
The rate constant for the self-reaction of the acetonyl peroxy radicals, CH3C (O) CH2O2, has
been determined using laser photolysis/continuous wave cavity ring down spectroscopy (cw …

Computed Pre-reactive complex association lifetimes explain trends in experimental reaction rates for peroxy radical recombinations

CD Daub, R Valiev, VT Salo, I Zakai… - ACS Earth and Space …, 2022 - ACS Publications
The lifetimes of pre-reactive complexes, although implicitly part of the equations used to
model many gas-phase bimolecular reactions, have seldom been included in quantitative …

Degradation kinetics and pathways of isopropyl alcohol by microwave-assisted oxidation process

QTP Tran, YH Chuang, S Tan, CH Hsieh… - Industrial & …, 2021 - ACS Publications
Isopropyl alcohol (IPA) is a significant pollutant in the wastewater of semiconductor
manufacturing industry. This study investigated the degradation of IPA in the microwave …

Computational investigation of thermochemistry and kinetics of the reaction between n-butyl peroxy and hydroperoxyl radicals

S Kuzhanthaivelan, S Sunitha, B Rajakumar - Chemical Physics Letters, 2023 - Elsevier
The energetics, thermochemistry and kinetics for the reaction between n-butyl peroxy radical
and HO 2 radical was computed using CCSD (T)/aug-cc-pVDZ//B3LYP/6-311G (d, p) level of …

Lifetimes of pre-reactive complexes of peroxy radicals revisited: thermostat effects, temperature dependence and highly oxygenated molecules

CD Daub, R Skog, T Kurtén - Environmental Science: Atmospheres, 2024 - pubs.rsc.org
In recent work [Daub et al., ACS Earth Space Chem., 2022, 6, 2446] we have developed a
simple model for describing the lifetime of pre-reactive complexes, and demonstrated its use …

Computational Study on the Reaction of β-Hydroxyethylperoxy Radical with HO2 and Effects of Water Vapor

J Li, L Wang, L Wang - The Journal of Physical Chemistry A, 2022 - ACS Publications
The reaction of β-hydroxyethylperoxy radical (β-HEP) and HO2 with and without water was
studied using quantum chemistry and kinetic calculations. The main products are …

Utilizing the Properties of Functional Groups to Understand Indoor, High NOx, and Low NOx Atmospheric Chemistry

AC Ziola - 2024 - search.proquest.com
Over 1000 Tg of volatile organic compounds (VOCs) are emitted into the atmosphere every
year from both biogenic (Guenther et al., 2012) and anthropogenic (Huang et al., 2023) …

Numerical treatment of turbulent reacting flows

L Vervisch, P Domingo, J Bell - Numerical Methods in Turbulence …, 2023 - Elsevier
Many practical devices involving flows with chemical reactions operate in the turbulent flow
regime. This is easily understood considering the fact that the chemical species must be put …

Study of the reactivity of radical species of peroxyl type of atmospheric interest

M Shamas - 2022 - theses.hal.science
In the atmosphere, organic pollutants such as Volatile Organic Compounds (VOCs) from
biogenic or anthropogenic sources are oxidized by OH radicals leading to the formation of …