An adaptive chemistry approach to modeling complex kinetics in reacting flows

Schwer, Douglas A.; Lu, Pisi; Green, William

doi:10.1016/s0010-2180(03)00045-2

Cited by 94 publications

(48 citation statements)

References 26 publications

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“…(5) Adaptive chemistry [122]. Adaptive chemistry is based on the observation that in different regions of a reactive flow field, different chemical species and reactions are dominant.…”

Section: Detailed Chemical Kinetics and Its Efficient Use In Simulationsmentioning

confidence: 99%

Numerical simulation of turbulent combustion: Scientific challenges

Ren

Hou

et al. 2014

Sci. China Phys. Mech. Astron.

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Predictive simulation of engine combustion is key to understanding the underlying complicated physicochemical processes, improving engine performance, and reducing pollutant emissions. Critical issues as turbulence modeling, turbulence-chemistry interaction, and accommodation of detailed chemical kinetics in complex flows remain challenging and essential for highfidelity combustion simulation. This paper reviews the current status of the state-of-the-art large eddy simulation (LES)/probability density function (PDF)/detailed chemistry approach that can address the three challenging modelling issues. PDF as a subgrid model for LES is formulated and the hybrid mesh-particle method for LES/PDF simulations is described. Then the development need in micro-mixing models for the PDF simulations of turbulent premixed combustion is identified. Finally the different acceleration methods for detailed chemistry are reviewed and a combined strategy is proposed for further development.turbulence-chemistry interaction, detailed chemistry, probability density function, mixing models, large eddy simulations PACS number(s): 47.27.ep, 47.70.Fw, 47.70.Pq Citation:

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“…(5) Adaptive chemistry [122]. Adaptive chemistry is based on the observation that in different regions of a reactive flow field, different chemical species and reactions are dominant.…”

Section: Detailed Chemical Kinetics and Its Efficient Use In Simulationsmentioning

confidence: 99%

Numerical simulation of turbulent combustion: Scientific challenges

Ren

Hou

et al. 2014

Sci. China Phys. Mech. Astron.

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“…By considering only influential eigenvalues and eigenvector components greater than the cutoff value, reactions and species are naturally eliminated. A dynamic form of reaction reduction has been developed by Schwer et al [6] in which a set of several reduced mechanisms is used during a simulation, and a particular mechanism assigned to a grid cell in physical space after tests to find the mechanism that gives the closest result to the full unreduced model. The method of Banerjee and Ierapetritou [7] also uses a set of several reduced mechanisms.…”

Section: Introductionmentioning

confidence: 99%

Dynamic reduction of a CH₄/air chemical mechanism appropriate for investigating vortex–flame interactions

Tonse

Day

Brown

2007

Int J of Chemical Kinetics

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This paper describes two methods, piecewise reusable implementation of solution mapping (PRISM) and dynamic steady-state approximation (DYSSA), in which chemistry is reduced dynamically to reduce the computational burden in combustion simulations. Each method utilizes the large range in species timescales to reduce the dimensionality to the number of species with slow timescales. The methods are applied within a framework that uses hypercubes to partition multidimensional chemical composition space, where each chemical species concentration, plus temperature, is represented by an axis in space. The dimensionality of the problem is reduced uniquely in each hypercube, but the dimensionality of chemical composition space is not reduced. The dimensionality reduction is dynamic and is different for different hypercubes, thereby escaping the restrictions of global methods in which reductions must be valid for all chemical mixtures. PRISM constructs polynomial equations in each hypercube, replacing the chemical kinetic ordinary differential equation (ODE) system with a set of quadratic polynomials with terms related to the number of species with slow timescales. Earlier versions of PRISM were applied to smaller chemical mechanisms and used all chemical species concentrations as terms. DYSSA is a dynamic treatment of the steady-state approximation and uses the fast-slow timescale separation to determine the set of steady-state species in each hypercube. A reduced number of chemical kinetic ODEs are integrated rather than the original full set. PRISM and DYSSA are evaluated for simulations of a pair of counterrotating vortices

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“…Among the existing methods, ISAT is currently particularly fruitful, and it has been widely used to incorporate reduced and detailed chemistry in computations of combustion [8][9][10][36][37][38][39][40][41][42][43][44]. • Adaptive chemistry [45]. Adaptive chemistry is based on the observation that in different regions of a reactive flow field, different chemical species and reactions are dominant.…”

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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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An adaptive chemistry approach to modeling complex kinetics in reacting flows

Cited by 94 publications

References 26 publications

Numerical simulation of turbulent combustion: Scientific challenges

Numerical simulation of turbulent combustion: Scientific challenges

Dynamic reduction of a CH₄/air chemical mechanism appropriate for investigating vortex–flame interactions

Efficient Implementation of Chemistry in Computational Combustion

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An adaptive chemistry approach to modeling complex kinetics in reacting flows

Cited by 94 publications

References 26 publications

Numerical simulation of turbulent combustion: Scientific challenges

Numerical simulation of turbulent combustion: Scientific challenges

Dynamic reduction of a CH4/air chemical mechanism appropriate for investigating vortex–flame interactions

Efficient Implementation of Chemistry in Computational Combustion

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Dynamic reduction of a CH₄/air chemical mechanism appropriate for investigating vortex–flame interactions