ライブラリ登録: Guest
Begell Digital Portal Begellデジタルライブラリー 電子書籍 ジャーナル 参考文献と会報 リサーチ集
International Journal for Multiscale Computational Engineering
インパクトファクター: 1.016 5年インパクトファクター: 1.194 SJR: 0.554 SNIP: 0.68 CiteScore™: 1.18

ISSN 印刷: 1543-1649
ISSN オンライン: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v5.i1.20
pages 11-18

The Rate-Controlled Constrained Equilibrium (RCCE) Method for Reducing Chemical Kinetics in Systems with Time-Scale Separation

Stelios Rigopoulos
Department of Mechanical, Aerospace and Civil Engineering, The University of Manchester, P.O. Box 88, Sackville Street, Manchester, M601QD, UK

要約

Turbulent combustion is the ultimate multiscale problem, with chemical reactions exhibiting time scales spanning more than ten orders of magnitude and turbulent motion, introducing further space and time scales. The integration of the chemical kinetics equations is severely hampered by their excessive stiffness, resulting from the range of time scales present. The mathematical modeling of combustion can be significantly simplified by taking advantage of the time-scale separation to assume that fast reactions, typically associated with intermediate species, are in a local equilibrium. In the rate-controlled constrained equilibrium method (RCCE), the dynamical evolution of the system is governed by the kinetics of the species associated with the slower time scales (kinetically controlled), while the remaining species are calculated via a constrained minimization of the Gibbs free energy of the mixture. This permits the derivation of a general set of differential-algebraic equations (DAEs), which apply to any reduced system given a particular selection of kinetically controlled species. In this paper, it is shown how the differential-algebraic formulation of RCCE can be derived from first principles, in the form of an extension of the computation of chemical equilibrium via miminisation of the free energy. Subsequently, RCCE is employed to reduce a comprehensive combustion mechanism and to calculate the burning velocity of premixed H2-O2 and CH4-air flames under a range of pressures and equivalence ratios.


Articles with similar content:

OPTIMIZATION OF A SURROGATE REDUCED AVIATION FUEL-AIR REACTION MECHANISM USING A GENETIC ALGORITHM
International Journal of Energy for a Clean Environment, Vol.8, 2007, issue 1
Mohamed Pourkashanian, Nicolae Severian Mera, Lionel Elliott, C. W. Wilson, Derek B. Ingham, Adrian G. Kyne
EXPERIMENTAL VALIDATION OF A ONE-DIMENSIONAL STEADY MODEL FOR DOWNDRAFT BIOMASS GASIFIERS
ICHMT DIGITAL LIBRARY ONLINE, Vol.0, 2017, issue
Daniela Cirillo, D. Piazzullo, M. Costa, M. La Villetta, V. Rocco, M.V. Prati
FLAMELET DESCRIPTION OF TURBULENT COMBUSTION
International Heat Transfer Conference 9, Vol.1, 1990, issue
Francois Lacas, Eric Maistret, Thierry Poinsot, Nasser Darabiha, Sebastien Candel, Denis Veynante
Hydrocracking of Heavy Hydrocarbons in a Plasma Spouted-Bed Reactor: Role of Alkyl Aromatic Compounds in the Presence of a High Flow of Hydrogen Radicals
Progress in Plasma Processing of Materials, 1997, Vol.1, 1997, issue
Jacques Amouroux, J. L. Leuenberger
CHEMICAL KINETICS ANALYSIS FOR LIFTED TURBULENT JET FLAME USING MULTI-FLAMELET GENERATED MANIFOLD APPROACH
Proceedings of the 24th National and 2nd International ISHMT-ASTFE Heat and Mass Transfer Conference (IHMTC-2017), Vol.0, 2017, issue
Ashoke De, Venu G. Agarwal, Rohit Saini, Rakesh Yadav