Thermochemistry of proton-coupled electron transfer reagents and its implications

JJ Warren, TA Tronic, JM Mayer - Chemical reviews, 2010 - ACS Publications
Many, if not most, redox reactions are coupled to proton transfers. This includes most
common sources of chemical potential energy, from the bioenergetic processes that power …

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

F Battin-Leclerc - Progress in Energy and Combustion Science, 2008 - Elsevier
This paper presents a review of gas-phase detailed kinetic models developed to simulate
the low-temperature oxidation and autoignition of gasoline and diesel fuel components …

The Sonora brown dwarf atmosphere and evolution models. I. Model description and application to cloudless atmospheres in rainout chemical equilibrium

MS Marley, D Saumon, C Visscher… - The Astrophysical …, 2021 - iopscience.iop.org
We present a new generation of substellar atmosphere and evolution models, appropriate
for application to studies of L-, T-, and Y-type brown dwarfs and self-luminous extrasolar …

An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia

A Stagni, C Cavallotti, S Arunthanayothin… - Reaction Chemistry & …, 2020 - pubs.rsc.org
A complete understanding of the mechanism of ammonia pyrolysis and oxidation in the full
range of operating conditions displayed by industrial applications is one of the challenges of …

Phosphine gas in the cloud decks of Venus

JS Greaves, A Richards, W Bains, PB Rimmer… - Nature …, 2021 - nature.com
Measurements of trace gases in planetary atmospheres help us explore chemical conditions
different to those on Earth. Our nearest neighbour, Venus, has cloud decks that are …

Implementation of the NCN pathway of prompt-NO formation in the detailed reaction mechanism

AA Konnov - Combustion and Flame, 2009 - Elsevier
This work presents revised detailed reaction mechanism for small hydrocarbons combustion
with possibly full implementation of available kinetic data related to the prompt NO route via …

[HTML][HTML] Mutation++: Multicomponent thermodynamic and transport properties for ionized gases in c++

JB Scoggins, V Leroy, G Bellas-Chatzigeorgis, B Dias… - SoftwareX, 2020 - Elsevier
The Mutation++ library provides accurate and efficient computation of physicochemical
properties associated with partially ionized gases in various degrees of thermal …

Active Thermochemical Tables: thermochemistry for the 21st century

B Ruscic, RE Pinzon, G Von Laszewski… - Journal of Physics …, 2005 - iopscience.iop.org
Abstract Active Thermochemical Tables (ATcT) are a good example of a significant
breakthrough in chemical science that is directly enabled by the US DOE SciDAC initiative …

The sensitizing effects of NO2 and NO on methane low temperature oxidation in a jet stirred reactor

Y Song, L Marrodán, N Vin, O Herbinet, E Assaf… - Proceedings of the …, 2019 - Elsevier
The oxidation of neat methane (CH 4) and CH 4 doped with NO 2 or NO in argon has been
investigated in a jet-stirred reactor at 107 kPa, temperatures between 650 and 1200 K, with …

Transcritical diffuse-interface hydrodynamics of propellants in high-pressure combustors of chemical propulsion systems

L Jofre, J Urzay - Progress in Energy and Combustion Science, 2021 - Elsevier
Rocket engines and high-power new generations of gas-turbine jet engines and diesel
engines oftentimes involve the injection of one or more reactants at subcritical temperatures …