Combustion chemistry of aromatic hydrocarbons
Aromatic hydrocarbons are important components of petroleum-based transportation fuels,
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …
Extension of the ReaxFF combustion force field toward syngas combustion and initial oxidation kinetics
C Ashraf, ACT Van Duin - The Journal of Physical Chemistry A, 2017 - ACS Publications
A detailed insight of key reactive events related to oxidation and pyrolysis of hydrocarbon
fuels further enhances our understanding of combustion chemistry. Though comprehensive …
fuels further enhances our understanding of combustion chemistry. Though comprehensive …
A PAH growth mechanism and synergistic effect on PAH formation in counterflow diffusion flames
A reaction mechanism having molecular growth up to benzene for hydrocarbon fuels with up
to four carbon-atoms was extended to include the formation and growth of polycyclic …
to four carbon-atoms was extended to include the formation and growth of polycyclic …
Investigation on the pyrolysis and oxidation of toluene over a wide range conditions. I. Flow reactor pyrolysis and jet stirred reactor oxidation
The pyrolysis of toluene was studied in a flow reactor at pressures from 5 to 760 Torr and
temperatures from 1100 to 1730 K using synchrotron vacuum ultraviolet photoionization …
temperatures from 1100 to 1730 K using synchrotron vacuum ultraviolet photoionization …
Pyrolysis of binary fuel mixtures at supercritical conditions: A ReaxFF molecular dynamics study
Combustion devices such as rocket engines, gas turbines and HCCI engines frequently
operate at a pressure higher than the critical pressure of the fuel or the oxidizer. This …
operate at a pressure higher than the critical pressure of the fuel or the oxidizer. This …
Investigation on the pyrolysis and oxidation of toluene over a wide range conditions. II. A comprehensive kinetic modeling study
The flow reactor pyrolysis of toluene from low to atmospheric pressures and jet stirred
reactor oxidation of toluene at high pressure have been studied in Part I of this serial work …
reactor oxidation of toluene at high pressure have been studied in Part I of this serial work …
Kinetic modeling study of toluene pyrolysis at low pressure
A detailed kinetic model, consisting of 137 species and 530 reactions, was developed to
simulate toluene pyrolysis at low pressure within the temperature range from 1270 to 1870K …
simulate toluene pyrolysis at low pressure within the temperature range from 1270 to 1870K …
[HTML][HTML] The influence of ammonia on the laminar burning velocities of methylcyclohexane and toluene: An experimental and kinetic modeling study
Laminar burning velocities of methylcyclohexane and toluene blended with ammonia have
been determined using the heat flux method at atmospheric pressure and initial temperature …
been determined using the heat flux method at atmospheric pressure and initial temperature …
Modeling of two-and three-ring aromatics formation in the pyrolysis of toluene
A detailed chemical kinetic model for the pyrolysis of toluene and subsequent formation of
polycyclic aromatic hydrocarbons (PAHs) was constructed for the low pressure (∼ 10Torr) …
polycyclic aromatic hydrocarbons (PAHs) was constructed for the low pressure (∼ 10Torr) …
A chemical kinetic modeling study of indene pyrolysis
An improved polycyclic aromatic hydrocarbon (PAH) model is developed to predict the
decomposition of indene and the formation of large PAHs under pyrolytic conditions. This …
decomposition of indene and the formation of large PAHs under pyrolytic conditions. This …