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Modeling ignition of a heptane isomer: improved thermodynamics, reaction pathways, kinetics, and rate rule optimizations for 2-methylhexane
(American Chemical Society, 2016-03-21)
Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a ...
Optimized reaction mechanism rate rules for ignition of normal alkanes
(Elsevier, 2016-08-10)
The increasing demand for cleaner combustion and reduced greenhouse gas emissions motivates research on the combustion of hydrocarbon fuels and their surrogates. Accurate detailed chemical kinetic models are an important ...
Towards a kinetic understanding of the NOx promoting-effect on ignition of coalbed methane: A case study of methane/nitrogen dioxide mixtures
(Elsevier, 2016-05-03)
Nitrogen dioxide (NO2) is an important impurity in coal-bed methane (CBM) and a dominant component of NOx pollution in practical engines. Its promoting effect on methane ignition has been studied in the current experimental ...
An experimental and modeling study of nitromethane + O2 + N2 ignition in a shock tube
(Elsevier, 2016-09-09)
The ignition of nitromethane/O-2/N-2 mixtures was investigated via shock tube experiments in the temperature range 947-1333 K at reflected shock pressures near 8, 16 and 32 atm. The ignition was recorded as the intensity ...
A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation
(Elsevier, 2016-01-29)
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) and equivalence ratios (0.5, 1.0, and 2.0). These ...
An ignition delay time and chemical kinetic modeling study of the pentane isomers
(Elsevier, 2016-10-26)
Ignition delay times of n-pentane, iso-pentane, and neo-pentane mixtures were measured in two shock tubes and in a rapid compression machine. The experimental data were used as validation targets for the model described ...
Modeling nitrogen species as pollutants: thermochemical influences
(American Chemical Society, 2016-08-22)
To simulate emissions of nitrogen-containing compounds in practical combustion environments, it is necessary to have accurate values for their thermochemical parameters, as well as accurate kinetic values to describe the ...
Toward the development of a fundamentally based chemical model for cyclopentanone: high-pressure-limit rate constants for H atom abstraction and fuel radical decomposition
(American Chemical Society, 2016-08-25)
Theoretical aspects of the development of a chemical kinetic model for the pyrolysis and combustion of a cyclic ketone, cyclopentanone, are considered. Calculated thermodynamic and kinetic data are presented for the first ...
An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways
(Elsevier, 2016-06-16)
Two jet-stirred reactors (JSRs) coupled to gas chromatographic and spectroscopic techniques have been utilised to detect chemical species evolved during n -pentane oxidation at 1 and 10 atm, in the temperature range 500-1100 ...