Toward accommodating realistic fuel chemistry in large-scale computations

T Lu, CK Law - Progress in Energy and Combustion Science, 2009 - Elsevier
The need and prospect of incorporating realistic fuel chemistry in large-scale simulations of
combustion phenomena and combustor performance are reviewed. The review first …

Combustion chemistry of alkenes and alkadienes

CW Zhou, A Farooq, L Yang, AM Mebel - Progress in Energy and …, 2022 - Elsevier
Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present
in transportation fuels in significant amounts, up to as much as 15–20% in gasoline …

A physics-based approach to modeling real-fuel combustion chemistry–II. Reaction kinetic models of jet and rocket fuels

R Xu, K Wang, S Banerjee, J Shao, T Parise, Y Zhu… - Combustion and …, 2018 - Elsevier
We propose and test an alternative approach to modeling high-temperature combustion
chemistry of multicomponent real fuels. The hybrid chem istry (HyChem) approach …

Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20

SM Sarathy, CK Westbrook, M Mehl, WJ Pitz… - Combustion and …, 2011 - Elsevier
Conventional petroleum jet and diesel fuels, as well as alternative Fischer–Tropsch (FT)
fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly …

A compact skeletal mechanism for n-dodecane with optimized semi-global low-temperature chemistry for diesel engine simulations

T Yao, Y Pei, BJ Zhong, S Som, T Lu, KH Luo - Fuel, 2017 - Elsevier
A skeletal mechanism with 54 species and 269 reactions was developed to predict pyrolysis
and oxidation of n-dodecane as a diesel fuel surrogate involving both high-temperature …

A new detailed kinetic model for surrogate fuels: C3MechV3. 3

S Dong, SW Wagnon, LP Maffei, G Kukkadapu… - Applications in Energy …, 2022 - Elsevier
There is an increasing demand for kinetic models of surrogate components to predict the
combustion and emissions of real fuels. In this paper, a new surrogate fuel mechanism …

Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis

KE Niemeyer, CJ Sung, MP Raju - Combustion and flame, 2010 - Elsevier
A novel implementation for the skeletal reduction of large detailed reaction mechanisms
using the directed relation graph with error propagation and sensitivity analysis (DRGEPSA) …

A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with NO …

T Lu, CK Law - Combustion and Flame, 2008 - Elsevier
A criterion based on computational singular perturbation (CSP) is proposed to effectively
distinguish the quasi steady state (QSS) species from the fast species induced by reactions …

Skeletal mechanism reduction through species-targeted sensitivity analysis

A Stagni, A Frassoldati, A Cuoci, T Faravelli… - Combustion and …, 2016 - Elsevier
The use of simplifying techniques to obtain skeletal kinetic mechanisms with the required
accuracy is often a necessary step when computationally demanding simulations are …

Direct numerical simulations of ignition of a lean n-heptane/air mixture with temperature inhomogeneities at constant volume: Parametric study

CS Yoo, T Lu, JH Chen, CK Law - Combustion and Flame, 2011 - Elsevier
The effect of thermal stratification on the ignition of a lean homogeneous n-heptane/air
mixture at constant volume and high pressure is investigated by direct numerical simulations …