Second-order splitting schemes for a class of reactive systems

Ren, Zhuyin; Pope, Stephen B.

doi:10.1016/j.jcp.2008.05.019

Cited by 70 publications

(35 citation statements)

References 32 publications

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“…Splitting methods have been successfully applied in atmospheric chemical systems (Sportisse 2000) as well as in combustion where the applicability of splitting may be less obvious since the chemistry feeds back to the transport terms through heat release (Yang and Pope 1998;Knio et al 1999;Singer et al 2006;Ren and Pope 2008). Discussions on the use of operator splitting in biochemical and developmental biology systems are also given in Logist et al (2009), Zhu et al (2009) and Zhao et al (2011).…”

Section: Operator Splitting and Stiffnessmentioning

confidence: 99%

Analysis of Kinetic Reaction Mechanisms

Turányi¹,

Tomlin²

2014

196

172

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Section: Operator Splitting and Stiffnessmentioning

confidence: 99%

Analysis of Kinetic Reaction Mechanisms

Turányi¹,

Tomlin²

2014

196

172

View full text Add to dashboard Cite

“…In [50], Ren and Pope developed computationally efficient splitting schemes for the reduced description of reacting flows. Two classes of splitting schemes are introduced: one is based on the Strang splitting technique, and the other is based on staggered time steps.…”

Section: Discussionmentioning

confidence: 99%

“…In [50], Ren and Pope developed computationally-efficient splitting schemes for solving the above class of reaction-transport problems. The schemes separate chemical reaction terms from transport terms.…”

Section: Splitting Schemesmentioning

confidence: 99%

Efficient Implementation of Chemistry in Computational Combustion

Pope

Ren

2008

Flow Turbulence Combust

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For hydrocarbon fuels, detailed chemical kinetics typically involve a large number of chemical species and reactions. In a high-fidelity combustion calculation, it is essential, though challenging, to incorporate sufficiently detailed chemical kinetics to enable reliable predictions of thermo-chemical quantities, especially for pollutants such as NO x and CO. In this paper, we review the recent work on efficient implementation of chemistry at Cornell, specifically: the invariant constrained equilibriumedge pre-image curve dimension-reduction method for the reduced description of reactive flows; the transport-chemistry coupling in the reduced description; the computationally efficient operator-splitting schemes for reactive flows; and, recent developments in the storage/retrieval algorithm in situ adaptive tabulation.

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“…For general multi-dimensional reactive flows, operator splitting has been widely used to separate chemistry integration from that of transport processes to reduce computational efforts [26,29,30,11,25]. C. Xu [37] and Y. Gao [9] adaptively separate the dynamic system into a fast operator including only fast reactions and a slow operator including slow reactions and the transport process, with each part being imposed of an implicit solver and a more efficient explicit solver, respectively.…”

Section: Introductionmentioning

confidence: 99%

A species-clustered splitting scheme for the integration of large-scale chemical kinetics using detailed mechanisms

Wang

Pan

et al. 2019

Combustion and Flame

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In this study, a species-clustered ordinary differential equations (ODE) solver for chemical kinetics with large detailed mechanisms based on operator-splitting is presented. The ODE system is split into clusters of species by using graph partition methods which has been intensively studied in areas of model reduction, parameterization and coarse-graining, etc. , such as diffusion maps based on the concept of Markov random walk. Definition of the weight (similarity) matrix is applicationdriven and according to chemical kinetics. Each cluster of species is then integrated by VODE, an implicit solver which is intractable and costly for large systems of many species and reactions. Expected speedup in computational efficiency is observed by numerical experiments on three zero-dimensional (0D) auto-ignition problems, considering the detailed hydrocarbon/air combustion mechanisms in varying scales, from 53 species with 325 reactions of methane to 2115 species with 8157 reactions of nhexadecane.

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Second-order splitting schemes for a class of reactive systems

Cited by 70 publications

References 32 publications

Analysis of Kinetic Reaction Mechanisms

Analysis of Kinetic Reaction Mechanisms

Efficient Implementation of Chemistry in Computational Combustion

A species-clustered splitting scheme for the integration of large-scale chemical kinetics using detailed mechanisms

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