Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data

Massias, A.; Diamantis, D.; Mastorakos, Epaminondas; Goussis, Dimitris A.

doi:10.1088/1364-7830/3/2/002

Cited by 73 publications

(42 citation statements)

References 26 publications

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“…In this article, the focus is on the Computational Singular Perturbation (CSP) method developed by Lam and Goussis [8], [9], [13], [15], [16], [17], [18], [20], [21], [32]. The CSP method, although developed originally for chemical kinetics equations, is generally applicable to multiple-time scale problems.…”

Section: Introduction and Summary Of Resultsmentioning

confidence: 99%

Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics

2004

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Summary. This article is concerned with the asymptotic accuracy of the Computational Singular Perturbation (CSP) method developed by Lam and Goussis [The CSP method for simplifying kinetics, Int. J. Chem. Kin. 26 (1994) to reduce the dimensionality of a system of chemical kinetics equations. The method, which is generally applicable to multiple-time scale problems arising in a broad array of scientific disciplines, exploits the presence of disparate time scales to model the dynamics by an evolution equation on a lower-dimensional slow manifold. In this article it is shown that the successive applications of the CSP algorithm generate, order by order, the asymptotic expansion of a slow manifold. The results are illustrated on the Michaelis-Menten-Henri equations of enzyme kinetics. PAC numbers. 82.33.Vx, 87.15.Rn, 82.33.Tb, 02.60.Lj, 02.30.Yy

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Section: Introduction and Summary Of Resultsmentioning

confidence: 99%

Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics

2004

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“…We mention the quasi-steady-state approximation [71,81,90], the partial-equilibrium approximation [75], methods based on details of the chemistry [56,75], an iterative method [16,61], the method of intrinsic low-dimensional manifolds (ILDMs) [40,41], the computational singular perturbation method [19,20,[29][30][31][32]36,44], a principal-component analysis [5,22,82], lumping techniques [35], repro-modeling [80], an inertial-manifold approach [89], a dynamic dimension-reduction method [9,10], a saddle-point method [7,8], a predictor-corrector method [7,8], an optimization method [57], and a global-eigenvalue method [74].…”

Section: Many Chemical Reaction Mechanisms In Combustionmentioning

confidence: 99%

Asymptotic analysis of two reduction methods for systems of chemical reactions

Kaper

2002

Physica D: Nonlinear Phenomena

132

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This paper concerns two methods for reducing large systems of chemical kinetics equations, namely, the method of intrinsic low-dimensional manifolds (ILDMs) due to Maas and Pope [Combust. Flame 88 (1992) Chem. Phys. 93 (1990) 1072. Both methods exploit the separation of fast and slow reaction time scales to find low-dimensional manifolds in the space of species concentrations where the long-term dynamics are played out. The asymptotic expansions of these manifolds (ε ↓ 0, where ε measures the ratio of the reaction time scales) are compared with the asymptotic expansion of M ε , the slow manifold given by geometric singular perturbation theory. It is shown that the expansions of the ILDM and M ε agree up to and including terms of O(ε); the former has an error at O(ε 2 ) that is proportional to the local curvature of M 0 . The error vanishes if and only if the curvature is zero everywhere. The iterative method generates, term by term, the asymptotic expansion of M ε . Starting from M 0 , the ith application of the algorithm yields the correct expansion coefficient at O(ε i ), while leaving the lower-order coefficients invariant. Thus, after applications, the expansion is accurate up to and including the terms of O(ε ). The analytical results are illustrated on a planar system from enzyme kinetics (Michaelis-Menten-Henri) and a model planar system due to Davis and Skodje.

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“…Intrinsic low dimensional manifold (ILDM) (Maas and Pope, 1992) and computational singular perturbation (CSP) methods Goussis, 1988, 1994;Massias et al, 1999a) have been also used to construct a reduced mechanism, through separation of fast and slow dynamic processes, in combustion chemistry (Massias et al, 1999b;Lu et al, 2001) and atmospheric chemistry (Neophytou et al, 2004;Lovas et al, 2006) .…”

Section: Methods To Eliminate Speciesmentioning

confidence: 99%

Mechanism reduction for the formation of secondary organic aerosol for integration into a 3-dimensional regional air quality model: <i>α</i>-pinene oxidation system

2009

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Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data

Cited by 73 publications

References 26 publications

Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics

Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics

Asymptotic analysis of two reduction methods for systems of chemical reactions

Mechanism reduction for the formation of secondary organic aerosol for integration into a 3-dimensional regional air quality model: <i>α</i>-pinene oxidation system

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Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data

Cited by 73 publications

References 26 publications

Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics

Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics

Asymptotic analysis of two reduction methods for systems of chemical reactions

Mechanism reduction for the formation of secondary organic aerosol for integration into a 3-dimensional regional air quality model: &lt;i&gt;α&lt;/i&gt;-pinene oxidation system

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Mechanism reduction for the formation of secondary organic aerosol for integration into a 3-dimensional regional air quality model: <i>α</i>-pinene oxidation system