Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction

ME Jenkin, R Valorso, B Aumont… - … Chemistry and Physics, 2019 - acp.copernicus.org
Abstract Organic peroxy radicals (RO 2), formed from the degradation of hydrocarbons and
other volatile organic compounds (VOCs), play a key role in tropospheric oxidation …

Experimental and theoretical study on the impact of a nitrate group on the chemistry of alkoxy radicals

A Novelli, C Cho, H Fuchs, A Hofzumahaus… - Physical Chemistry …, 2021 - pubs.rsc.org
The chemistry of nitrated alkoxy radicals, and its impact on RO2 measurements using the
laser induced fluorescence (LIF) technique, is examined by a combined theoretical and …

Detailed Chemical Kinetic Study of Acetaldehyde Oxidation and Its Interaction with NOx

KP Shrestha, BR Giri, M Adil, L Seidel, T Zeuch… - Energy & …, 2021 - ACS Publications
This work entails a detailed modeling and experimental study for the oxidation kinetics of
acetaldehyde (CH3CHO) and its interaction with NO x. The ignition behavior of …

Measurements of absolute line strength of the ν1 fundamental transitions of OH radical and rate coefficient of the reaction OH+ H2O2 with mid-infrared two-color time …

CW Chang, IY Chen, C Fittschen, PL Luo - The Journal of Chemical …, 2023 - pubs.aip.org
Absolute line strengths of several transitions in the ν 1 fundamental band of the hydroxyl
radical (OH) have been measured by simultaneous determination of hydrogen peroxide (H 2 …

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 …

Simultaneous determination of transient free radicals and reaction kinetics by high-resolution time-resolved dual-comb spectroscopy

PL Luo, EC Horng - Communications Chemistry, 2020 - nature.com
Quantitative determination of multiple transient species is critical in investigating reaction
mechanisms and kinetics under various conditions. Dual-comb spectroscopy, a comb-laser …

Rate Constants and Branching Ratios for the Self-Reaction of Acetyl Peroxy (CH3C(O)O2) and Its Reaction with CH3O2

M Assali, C Fittschen - Atmosphere, 2022 - mdpi.com
The self-reaction of acetylperoxy radicals (CH3C (O) O2•)(R1) as well as their reaction with
methyl peroxy radicals (CH3O2•)(R2) have been studied using laser photolysis coupled to a …

Acetonyl peroxy and hydro peroxy self-and cross-reactions: Kinetics, Mechanism, and Chaperone Enhancement from the perspective of the hydroxyl radical product

K Zuraski, AO Hui, FJ Grieman, E Darby… - The Journal of …, 2020 - ACS Publications
Pulsed laser photolysis coupled with infrared (IR) wavelength modulation spectroscopy and
ultraviolet (UV) absorption spectroscopy was used to study the kinetics and branching …

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 …