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 …
Surface processes on interstellar amorphous solid water: Adsorption, diffusion, tunneling reactions, and nuclear-spin conversion
T Hama, N Watanabe - Chemical reviews, 2013 - ACS Publications
Since we intend to review experimental and theoretical studies of physicochemical
processes occurring on cosmic dust grains in very cold regions in space, we start with a brief …
processes occurring on cosmic dust grains in very cold regions in space, we start with a brief …
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) …
An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure
A rapid compression machine (RCM) has been applied to measure the ignition delay times
of NH 3/CH 3 OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5 …
of NH 3/CH 3 OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5 …
Theoretical chemical kinetics in tropospheric chemistry: methodologies and applications
L Vereecken, DR Glowacki, MJ Pilling - Chemical reviews, 2015 - ACS Publications
Chemical kinetics is central in much of tropospheric chemistry and in modeling tropospheric
chemical processes. Chemical reaction rate coefficients and product yields have traditionally …
chemical processes. Chemical reaction rate coefficients and product yields have traditionally …
Uncertainty quantification of a newly optimized methanol and formaldehyde combustion mechanism
A detailed reaction mechanism for methanol combustion that is capable of describing
ignition, flame propagation and species concentration profiles with high accuracy has been …
ignition, flame propagation and species concentration profiles with high accuracy has been …
Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions
V Aquilanti, ND Coutinho… - … Transactions of the …, 2017 - royalsocietypublishing.org
This article surveys the empirical information which originated both by laboratory
experiments and by computational simulations, and expands previous understanding of the …
experiments and by computational simulations, and expands previous understanding of the …
Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance
The H+ CH3OH reaction, which plays an important role in combustion and the interstellar
medium, presents a prototypical system with multi channels and tight transition states …
medium, presents a prototypical system with multi channels and tight transition states …
Thermodynamic and kinetic study of ibuprofen with hydroxyl radical: A density functional theory approach
Ibuprofen, a frequently detected pharmaceutical in natural and engineered waters, was
studied in both neutral and anionic forms using density functional theory at the B3LYP/6 …
studied in both neutral and anionic forms using density functional theory at the B3LYP/6 …