Computationally efficient implementation of combustion chemistry using  in situ adaptive tabulation

Pope, Stephen B.

doi:10.1088/1364-7830/1/1/006

Cited by 263 publications

(355 citation statements)

References 2 publications

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“…Integration of the chemical source term is a significant hurdle in RANS/PDF simulations. Recent advances in computational methods have somewhat alleviated this problem [24,25]. In this work, we resort to direct integration using a stiff ODE solver, but employ certain simplification procedures.…”

Section: Hybrid Solution Methodsmentioning

confidence: 99%

Transported-PDF (IEM, EMST) micromixing models in a hydrogen-air nonpremixed turbulent flame

Senouci¹,

Bounif²,

Abidat³

et al. 2013

Acta Mech

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The topic of this study is the numerical simulation of a turbulent non-premixed hydrogen flame with different micromixing models in order to investigate their predictive capability. The two micromixing models are compared. Comparisons with experimental data demonstrate that predictions based on the EMST model are slightly better. The EMST improves largely the precision of the results to the detriment of the RAM and the CPU performances. Overall, profile predictions of mixture fraction, flame temperature and major species are in reasonable agreement with experimental data.

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Section: Hybrid Solution Methodsmentioning

confidence: 99%

Transported-PDF (IEM, EMST) micromixing models in a hydrogen-air nonpremixed turbulent flame

Senouci¹,

Bounif²,

Abidat³

et al. 2013

Acta Mech

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“…The PMSR model 10 is an extended version of the CSTR model with a finite number of fluid particles that evolve in composition space by reaction and micromixing. The particles are paired, and the micromixing model is applied between the partners in every pair.…”

Section: Results From Simplified Reactor Modelsmentioning

confidence: 99%

“…(Further details on the PMSR model can be found elsewhere. 10,11 ) For the jetstirred reactor, the "average" micromixing time (volume average of k/ ) was found from the turbulence model to be around τ m ) 0.558 s. The pairing time was (arbitrarily) set equal to the micromixing time. With the residence time set to τ ) 7.5 s and T in ) 323 K, it was found that the PMSR model yields a stable reacting steady state.…”

Section: Results From Simplified Reactor Modelsmentioning

confidence: 99%

“…One such method, in-situ adaptive tabulation (ISAT), is used in this work. 10 Instead of computing the entire composition space, ISAT computes and stores only those points that are needed in a particular simulation. These points are stored in the form of a binary tree data structure that recursively divides the accessed region into finite tractable subspaces.…”

Section: Introductionmentioning

confidence: 99%

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CFD Analysis of Premixed Methane Chlorination Reactors with Detailed Chemistry

Raman¹,

Fox

Harvey

et al. 2001

Ind. Eng. Chem. Res.

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With the implementation of efficient algorithms for the accurate calculation of reaction source terms, computational fluid dynamics (CFD) is now a powerful tool for the simulation and design of chemical reactors with complex kinetic schemes. The example studied in this work is the methane chlorination reaction for which the detailed chemistry scheme has 152 reactions and 38 species. The adiabatic, jet-stirred chlorination reactor used for the CFD simulations is an insulated right cylinder with a coaxial premixed feed stream at one end. In order for this reactor to remain lit, recirculation of hot products is crucial, and hence, reactor stability is sensitive to both macroscale and microscale mixing. By neglecting density variations, a Lagrangian composition probability density function (PDF) code with a novel chemistry tabulation algorithm (in-situ adaptive tabulation or ISAT) for handling complex reactions is used to simulate the species concentrations and temperature field inside of the reactor. In addition, a reduced mechanism with 21 reactions and 15 species is tested for accuracy against the detailed chemistry scheme, a simplified CSTR model is used to illustrate the shortcomings of zero-dimensional models, and a pair-wise mixing stirred reactor (PMSR) model is used to show the stabilizing effect of micromixing on reactor stability. The CFD simulations are generally in good agreement with results from pilot-scale reactors for the outlet temperature and major species. Albert D. Harvey and David H. WestThe Dow Chemical Company, Freeport, With the implementation of efficient algorithms for the accurate calculation of reaction source terms, computational fluid dynamics (CFD) is now a powerful tool for the simulation and design of chemical reactors with complex kinetic schemes. The example studied in this work is the methane chlorination reaction for which the detailed chemistry scheme has 152 reactions and 38 species. The adiabatic, jet-stirred chlorination reactor used for the CFD simulations is an insulated right cylinder with a coaxial premixed feed stream at one end. In order for this reactor to remain lit, recirculation of hot products is crucial, and hence, reactor stability is sensitive to both macroscale and microscale mixing. By neglecting density variations, a Lagrangian composition probability density function (PDF) code with a novel chemistry tabulation algorithm (in-situ adaptive tabulation or ISAT) for handling complex reactions is used to simulate the species concentrations and temperature field inside of the reactor. In addition, a reduced mechanism with 21 reactions and 15 species is tested for accuracy against the detailed chemistry scheme, a simplified CSTR model is used to illustrate the shortcomings of zero-dimensional models, and a pair-wise mixing stirred reactor (PMSR) model is used to show the stabilizing effect of micromixing on reactor stability. The CFD simulations are generally in good agreement with results from pilot-scale reactors for the outlet temperature and major spe...

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“…The computational costs of the Composition-PDF method are higher than current moment closure combustion models, but recent hybrid finite-volume/Composition-PDF approaches (Muradoglu, et al, 1999;and Jenny, et al, 2000), coupled with in-situ adaptive tabulation (ISAT, Pope, 1997) and automated reduced mechanism techniques, have significantly reduced computational times. An initial estimate of the cost per unit as a function of cell count for such an approach is provided in Figure 2-9, which assumes a 16 species to 41 reaction-kinetics mechanism and parallel implementation on 48 Sun Sparc Ultra2s with 70 percent parallel efficiency.…”

Section: Physics Based Modeling Of Combustors For Emission Predictionsmentioning

confidence: 99%

Next Generation Turbine Program

Day¹

2002

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The Next Generation Turbine (NGT) Program's technological development focused on a study of the feasibility of turbine systems greater than 30 MW that offer improvement over the 1999 state-of-the-art systems. This program targeted goals of 50 percent turndown ratios, 15 percent reduction in generation cost/kW hour, improved service life, reduced emissions, 400 starts/year with 10 minutes to full load, and multiple fuel usage. Improvement in reliability, availability, and maintainability (RAM), while reducing operations, maintenance, and capital costs by 15 percent, was pursued. This program builds on the extensive low emissions stationary gas turbine work being carried out by Pratt & Whitney (P&W) for P&W Power Systems (PWPS), which is a company under the auspices of the United Technologies Corporation (UTC). This study was part of the overall Department of Energy ( Under the auspices of the NGT Program, a series of analyses were performed to identify the NGT engine system's ability to serve multiple uses. The majority were in conjunction with a coal-fired plant, or used coal as the system fuel. Identified also was the ability of the NGT system to serve as the basis of an advanced performance cycle: the humid air turbine (HAT) cycle. The HAT cycle is also used with coal gasification in an integrated cycle HAT (IGHAT). The NGT systems identified were:• Feedwater heating retrofit to an existing coal-fired steam plant, which could supply both heat and peaking power (Block 2 engine)• Repowering of an older coal-fired plant (Block 2 engine)• Gas-fired HAT cycle (Block 1 and 2 engines)• Integrated gasification HAT (Block 1 and 2 engines).Also under Phase I of the NGT Program, a conceptual design of the combustion system has been completed. An integrated approach to cycle optimization for improved combustor turndown capability has been employed. The configuration selected has the potential for achieving single digit NO x /CO emissions between 40 percent and 100 percent load conditions. A technology maturation plan for the combustion system has been proposed. Also, as a result of Phase I, ceramic vane technology will be incorporated into NGT designs and will require less cooling flow than conventional metallic vanes, thereby improving engine efficiency. A common 50 Hz and 60 Hz power turbine was selected due to the cost savings from eliminating a gearbox. A list of ceramic vane technologies has been identified for which the funding comes from DOE, NASA, the U.S. Air Force, and P&W.

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Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation

Cited by 263 publications

References 2 publications

Transported-PDF (IEM, EMST) micromixing models in a hydrogen-air nonpremixed turbulent flame

Transported-PDF (IEM, EMST) micromixing models in a hydrogen-air nonpremixed turbulent flame

CFD Analysis of Premixed Methane Chlorination Reactors with Detailed Chemistry

Next Generation Turbine Program

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