Journal ArticleDOI
Lumping procedures in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures
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In this article, the authors present an extended kinetic model for high-level reaction classes, such as gas phase and liquid phase pyrolysis, polymer thermal degradation, oxidative coupling and several other chemical processes.About:
This article is published in Progress in Energy and Combustion Science.The article was published on 2001-01-01. It has received 420 citations till now. The article focuses on the topics: Kinetic scheme & Combustion.read more
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Lignocellulosic biomass pyrolysis mechanism: A state-of-the-art review
TL;DR: A broad review of the state-of-the-art biomass pyrolysis research can be found in this article, where three major components (cellulose, hemicellulose and lignin) are discussed in detail.
Journal ArticleDOI
Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels
Eliseo Ranzi,Alessio Frassoldati,Roberto Grana,Alberto Cuoci,Tiziano Faravelli,Andrew P. Kelley,Chung K. Law,Chung K. Law +7 more
TL;DR: In this paper, a detailed kinetic mechanism for the pyrolysis and combustion of a large variety of fuels at high temperature conditions is presented, and the authors identify aspects of the mechanism that require further revision.
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Chemical Kinetics of Biomass Pyrolysis
Eliseo Ranzi,Alberto Cuoci,Tiziano Faravelli,Alessio Frassoldati,G. Migliavacca,S. Pierucci,Samuele Sommariva +6 more
TL;DR: In this article, the main kinetic features of biomass pyrolysis, devolatilization, and the gas phase reactions of the released species are analyzed in a detailed manner.
Journal ArticleDOI
Toward accommodating realistic fuel chemistry in large-scale computations
Tianfeng Lu,Chung K. Law +1 more
TL;DR: The need and prospect of incorporating realistic fuel chemistry in large-scale simulations of combustion phenomena and combustor performance are reviewed in this paper, where skeletal reduction especially through directed relation graph, time-scale reduction based on the concepts of quasi-steady species enabled through computational singular perturbation, the lumping of isomers and of species with similar diffusivities; on-the-fly stiffness removal; the relative merits of implicit versus explicit solvers; and computation cost minimization achieved through tabulation and the judicious re-sequencing of the computational steps in arithmetic evaluations.
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Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates
TL;DR: A review of gas phase detailed kinetic models developed to simulate the low-temperature oxidation and autoignition of gasoline and diesel fuel components (alkanes, ethers, esters, alkenes, cycloalkane, aromatics, including from four atoms of carbon) is presented in this paper.
References
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Journal ArticleDOI
Mechanism and modeling of nitrogen chemistry in combustion
James A. Miller,Craig T. Bowman +1 more
TL;DR: In this article, the mechanisms and rate parameters for the gas-phase reactions of nitrogen compounds that are applicable to combustion-generated air pollution are discussed and illustrated by comparison of results from detailed kinetics calculations with experimental data.
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Chemical kinetic modeling of hydrocarbon combustion
TL;DR: In this paper, a comprehensive model of high temperature hydrocarbon oxidation in combustion is presented, with emphasis on the hierarchical structure of reaction mechanisms for complex fuels, including both inhibition and promotion of combustion.
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A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames
Hai Wang,Michael Frenklach +1 more
TL;DR: In this article, a computational study was performed for the formation and growth of polycyclic aromatic hydrocarbons (PAHs) in laminar premixed acetylene and ethylene flames.