A systematic lumping approach for the reduction of comprehensive kinetic models

Huang, Haozhong; Fairweather, M.; Griffiths, J. F.; Tomlin, Alison S.; Brad, R.B.

doi:10.1016/j.proci.2004.08.001

Cited by 70 publications

(46 citation statements)

References 17 publications

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“…As mentioned in Sect. 2.1, many techniques (Li and Rabitz, 1989;Li and Rabitz, 1990;Li et al, 1994a, b;Huang et al, 2005) have been developed to describe the exact and/or approximate lumping since the original mathematically based lumping approaches were proposed Wei and Kuo, 1969). The simple linear lumping method developed in this paper is a method that belongs to this class of mathematically based lumping approach.…”

Section: Discussionmentioning

confidence: 99%

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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

2009

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Section: Discussionmentioning

confidence: 99%

“…According to Huang et al (2005), if two species, A 1 and A 2 , can be lumped, the two species (units: mixing ratio) can be written as…”

Section: Linear Lumping Methodsmentioning

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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“…A non-exhaustive list includes: (i) automatic elimination of negligible species and reactions to generate skeletal mechanisms [7][8][9][10][11][12][13]; (ii) dimension reduction techniques, which further decrease the number of species or degrees of freedom that need be considered, including chemical lumping [14,15], mathematical lumping [16], QSSA [17,18], RCCE [19], ILDM [20], REDIM [21] and ICE-PIC [22]; and (iii) storage/retrieval algorithms to reduce the computational cost of repetitive kinetics calculations, including ISAT [23,24] and PRISM [25]. (One component of the current methodology is DRGEP [9], which is in category (i).)…”

Section: Introductionmentioning

confidence: 99%

A pre-partitioned adaptive chemistry methodology for the efficient implementation of combustion chemistry in particle PDF methods

Liang

Pope

Pepiot

2015

Combustion and Flame

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a b s t r a c t Large Eddy Simulation/particle Probability Density Function (LES/PDF) approaches are now well developed, and can be applied to turbulent combustion problems involving complex flows with strong turbulence-chemistry interactions. However, these methods are computationally expensive, restricting their use to simple fuels with relatively small detailed chemical mechanisms. To mitigate the cost in both CPU time and storage requirements, an adaptive strategy tailored for particle PDF methods is presented here, which provides for each particle a specialized reduced representation and kinetic model adjusted to its changing composition. Rather than performing chemical reduction at runtime to determine the optimal set of equations to use for a given particle, an analysis of the composition space likely to be accessed during the combustion simulation is performed in a pre-processing stage using simple Partially Stirred Reactor (PaSR) computations. In the pre-processing stage, the composition space is partitioned into a user-specified number of regions, over which suitable reduced chemical representations and kinetic models are generated automatically using the Directed Relation Graph with Error Propagation (DRGEP) reduction technique. A computational particle in the combustion simulation then carries only the variables present in the reduced representation and evolves according to the reduced kinetic model corresponding to the composition space region the particle belongs to. This region is identified efficiently using a low-dimensional binary-tree search algorithm, thereby keeping the run-time overhead associated with the adaptive strategy to a minimum. The performance of the algorithm is characterized for propane/air combustion in a PaSR with pairwise mixing. The results show that the reduction errors are well controlled by the specified error tolerance, and that the adaptive framework provides significant gains in cost and storage compared to traditional non-adaptive reduction approaches.

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“…Other methods for reducing the complexity of the chemistry are available, e.g. species lumping approaches [6] and the computational singular perturbation method [7].…”

Section: Introductionmentioning

confidence: 99%

Adaptive mesh refinement applied to the scalar transported PDF equation in a turbulent jet

Olivieri¹,

Fairweather²,

Falle³

2010

Numerical Meth Engineering

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SUMMARYThis paper describes a novel solution method for the transported probability density function (PDF) equation for scalars (compositions). In contrast to conventional solution methods based on the Monte Carlo approach, we use a finite-volume method combined with adaptive mesh refinement (AMR) applied in both physical and compositional space. The obvious advantage of this over a uniform grid is that fine meshes are only used where the solution requires high resolution. The efficiency of the method is demonstrated by a number of tests involving a turbulent jet flow with up to two scalars (both reacting and non-reacting). We find that the AMR calculation can be at a fraction of the computer cost of a uniform grid calculation with the same accuracy.

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A systematic lumping approach for the reduction of comprehensive kinetic models

Cited by 70 publications

References 17 publications

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

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

A pre-partitioned adaptive chemistry methodology for the efficient implementation of combustion chemistry in particle PDF methods

Adaptive mesh refinement applied to the scalar transported PDF equation in a turbulent jet

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A systematic lumping approach for the reduction of comprehensive kinetic models

Cited by 70 publications

References 17 publications

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

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

A pre-partitioned adaptive chemistry methodology for the efficient implementation of combustion chemistry in particle PDF methods

Adaptive mesh refinement applied to the scalar transported PDF equation in a turbulent jet

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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

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