Modeling nitrogen chemistry in combustion
Understanding of the chemical processes that govern formation and destruction of nitrogen
oxides (NO x) in combustion processes continues to be a challenge. Even though this area …
oxides (NO x) in combustion processes continues to be a challenge. Even though this area …
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 …
theoretical development, and some modern applications. The theoretical methods reviewed …
[HTML][HTML] Understanding the antagonistic effect of methanol as a component in surrogate fuel models: A case study of methanol/n-heptane mixtures
Y Wu, S Panigrahy, AB Sahu, C Bariki… - Combustion and …, 2021 - Elsevier
Methanol is a widely used engine fuel, blend component, and additive. However, no
systematic auto-ignition data or laminar flame speed measurements are available for kinetic …
systematic auto-ignition data or laminar flame speed measurements are available for kinetic …
Experimental and kinetic study on the laminar burning velocities of NH3 mixing with CH3OH and C2H5OH in premixed flames
Ammonia (NH 3) is a promising carbon-free alternative fuel, and blending NH 3 with other
more active fuels can enhance the low burning rate of pure NH 3 flames, which makes it …
more active fuels can enhance the low burning rate of pure NH 3 flames, which makes it …
Chemical mechanism of ammonia-methanol combustion and chemical reaction kinetics analysis for different methanol blends
M Lu, D Dong, F Wei, W Long, Y Wang, L Cong… - Fuel, 2023 - Elsevier
As a carbon-free fuel, ammonia is considered as an attractive alternative fuel for internal
combustion engines. However, ammonia has the problems of high ignition temperature and …
combustion engines. However, ammonia has the problems of high ignition temperature and …
One‐Step Reforming of CO2 and CH4 into High‐Value Liquid Chemicals and Fuels at Room Temperature by Plasma‐Driven Catalysis
The conversion of CO2 with CH4 into liquid fuels and chemicals in a single‐step catalytic
process that bypasses the production of syngas remains a challenge. In this study, liquid …
process that bypasses the production of syngas remains a challenge. In this study, liquid …
Alcohol combustion chemistry
SM Sarathy, P Oßwald, N Hansen… - Progress in energy and …, 2014 - Elsevier
Alternative transportation fuels, preferably from renewable sources, include alcohols with up
to five or even more carbon atoms. They are considered promising because they can be …
to five or even more carbon atoms. They are considered promising because they can be …
A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels
WK Metcalfe, SM Burke, SS Ahmed… - International Journal of …, 2013 - Wiley Online Library
ABSTRACT A detailed chemical kinetic mechanism has been developed to describe the
oxidation of small hydrocarbon and oxygenated hydrocarbon species. The reactivity of these …
oxidation of small hydrocarbon and oxygenated hydrocarbon species. The reactivity of these …
A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation
A shock tube (ST) and a rapid compression machine (RCM) have been used to measure
new ignition delay times for methanol oxidation over a wide range of pressures (2–50 atm) …
new ignition delay times for methanol oxidation over a wide range of pressures (2–50 atm) …
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 …
through thousands of reactions. Recent advances in theoretical methodologies and …