Organic peroxides in aerosol: key reactive intermediates for multiphase processes in the atmosphere

S Wang, Y Zhao, AWH Chan, M Yao, Z Chen… - Chemical …, 2023‏ - ACS Publications
Organic peroxides (POs) are organic molecules with one or more peroxide (− O–O−)
functional groups. POs are commonly regarded as chemically labile termination products …

Variational transition state theory: theoretical framework and recent developments

JL Bao, DG Truhlar - Chemical Society Reviews, 2017‏ - pubs.rsc.org
This article reviews the fundamentals of variational transition state theory (VTST), its recent
theoretical development, and some modern applications. The theoretical methods reviewed …

An updated experimental and kinetic modeling study of n-heptane oxidation

K Zhang, C Banyon, J Bugler, HJ Curran… - Combustion and …, 2016‏ - Elsevier
This work presents an updated experimental and kinetic modeling study of n-heptane
oxidation. In the experiments, ignition delay times of stoichiometric n-heptane/air mixtures …

Advances and challenges in laminar flame experiments and implications for combustion chemistry

FN Egolfopoulos, N Hansen, Y Ju… - Progress in Energy and …, 2014‏ - Elsevier
The state of the art and the further challenges of combustion chemistry research in laminar
flames are reviewed. Laminar flames constitute an essential part of kinetic model …

Advances in radical-trap** antioxidant chemistry in the 21st century: a kinetics and mechanisms perspective

KU Ingold, DA Pratt - Chemical reviews, 2014‏ - ACS Publications
Under normal atmospheric partial pressure of oxygen, the rate of reaction 3 is much lower
than the rate of reaction 2; therefore, the steady-state concentration of ROO• is very much …

From theoretical reaction dynamics to chemical modeling of combustion

SJ Klippenstein - Proceedings of the Combustion Institute, 2017‏ - Elsevier
The chemical modeling of combustion treats the chemical conversion of hundreds of species
through thousands of reactions. Recent advances in theoretical methodologies and …

New reaction classes in the kinetic modeling of low temperature oxidation of n-alkanes

E Ranzi, C Cavallotti, A Cuoci, A Frassoldati… - Combustion and …, 2015‏ - Elsevier
Due to the rapid advance in analytical methods, a large detail of intermediate products from
the low temperature oxidation of hydrocarbon fuels in jet stirred reactors became recently …

Autoxidation vs. antioxidants–the fight for forever

J Helberg, DA Pratt - Chemical Society Reviews, 2021‏ - pubs.rsc.org
Autoxidation limits the longevity of essentially all hydrocarbons and materials made
therefrom–including us. The radical chain reaction responsible often leads to complex …

Automated reaction kinetics of gas-phase organic species over multiwell potential energy surfaces

J Zádor, C Martí, R Van de Vijver… - The Journal of …, 2023‏ - ACS Publications
Automation of rate-coefficient calculations for gas-phase organic species became possible
in recent years and has transformed how we explore these complicated systems …

Comprehensive study of the low-temperature oxidation chemistry by synchrotron photoionization mass spectrometry and gas chromatography

Q Xu, B Liu, W Chen, T Yu, Z Zhang, C Zhang… - Combustion and …, 2022‏ - Elsevier
Comprehensive analysis of the low-temperature oxidation intermediates, including the
reactive intermediates and isomers, is crucial to develop the low-temperature oxidation …