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 …

[PDF][PDF] Simplification of mathematical models of chemical reaction systems

MS Okino, ML Mavrovouniotis - Chemical reviews, 1998 - Citeseer
Detailed modeling of complex reaction systems is becoming increasingly important in the
development, analysis, design, and control of chemical reaction processes. For industrial …

Stiff-pinn: Physics-informed neural network for stiff chemical kinetics

W Ji, W Qiu, Z Shi, S Pan, S Deng - The Journal of Physical …, 2021 - ACS Publications
The recently developed physics-informed neural network (PINN) has achieved success in
many science and engineering disciplines by encoding physics laws into the loss functions …

An efficient error-propagation-based reduction method for large chemical kinetic mechanisms

P Pepiot-Desjardins, H Pitsch - Combustion and Flame, 2008 - Elsevier
Production rates obtained from a detailed chemical mechanism are analyzed in order to
quantify the coupling between the various species and reactions involved. These …

Linear time reduction of large kinetic mechanisms with directed relation graph: n-Heptane and iso-octane

T Lu, CK Law - Combustion and flame, 2006 - Elsevier
The algorithm of directed relation graph recently developed for skeletal mechanism
reduction was extended to overall linear time operation, thereby greatly facilitating the …

Development of a reduced primary reference fuel mechanism for internal combustion engine combustion simulations

H Wang, M Yao, RD Reitz - Energy & Fuels, 2013 - ACS Publications
A reduced PRF mechanism was proposed for combustion simulations of PRF and
diesel/gasoline fuels based on the latest LLNL mechanism. The reduced PRF mechanism …

Wide-Range Kinetic Modeling Study of the Pyrolysis, Partial Oxidation, and Combustion of Heavy n-Alkanes

E Ranzi, A Frassoldati, S Granata… - Industrial & engineering …, 2005 - ACS Publications
The main goal of this paper is the extension of a general semidetailed kinetic scheme of
hydrocarbon oxidation to heavy fuels. Taking previous n-pentane and n-heptane kinetic …

Strategies for mechanism reduction for large hydrocarbons: n-heptane

T Lu, CK Law - Combustion and flame, 2008 - Elsevier
A 55-species reduced mechanism for n-heptane oxidation was derived from a 188-species
skeletal mechanism, which was previously obtained from a detailed mechanism consisting …

Mathematical tools for the construction, investigation and reduction of combustion mechanisms

AS Tomlin, T Turányi, MJ Pilling - Comprehensive chemical kinetics, 1997 - Elsevier
Publisher Summary Chemical mechanisms have been employed in hydrocarbon
combustion as a means of understanding the underlying phenomenology of the combustion …

Reduced kinetic models and their application to practical combustion systems

JF Griffiths - Progress in energy and combustion science, 1995 - Elsevier
Experimental Background 2.1. Introduction 2.2. Experimental methods 2.3. The
pbenomenology of autoignition 2.4. Ignition delays