Hybrid Method of Moments for modeling soot formation and growth

Müeller, Michael E.; Blanquart, Guillaume; Pitsch, Heinz

doi:10.1016/j.combustflame.2009.01.025

Cited by 211 publications

(153 citation statements)

References 27 publications

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“…While many variants have been proposed, the closure models may be classified into three approaches: the method of moments with interpolative closure (MOMIC) [18], the direct quadrature method of moments (DQMOM) [19] and the hybrid method of moments (HMOM) [20]. MOMIC is the most widely used approach with the equation for the highest moment closed by logarithmic polynomial interpolations and is adopted in the present study [21].…”

Section: Introductionmentioning

confidence: 99%

A computational study of ethylene–air sooting flames: Effects of large polycyclic aromatic hydrocarbons

Selvaraj

Arias

Lee

et al. 2016

Combustion and Flame

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An updated reduced gas-phase kinetic mechanism was developed and integrated with aerosol models to predict soot formation characteristics in ethylene nonpremixed and premixed flames. A primary objective is to investigate the sensitivity of the soot formation to various chemical pathways for large polycyclic aromatic hydrocarbons (PAH). The gas-phase chemical mechanism adopted the KAUST-Aramco PAH Mech 1.0, which utilized the AramcoMech 1.3 for gas-phase reactions validated for up to C2 fuels. In addition, PAH species up to coronene (C 24 H 12 or A7) were included to describe the detailed formation pathways of soot precursors. In this study, the detailed chemical mechanism was reduced from 397 to 99 species using directed relation graph with expert knowledge (DRG-X) and sensitivity analysis. The method of moments with interpolative closure (MOMIC) was employed for the soot aerosol model. Counterflow nonpremixed flames at low strain rate sooting conditions were considered, for which the sensitivity of soot formation characteristics to different nucleation pathways were investigated. Premixed flame experiment data at different equivalence ratios were also used for validation. The findings show that higher PAH concentrations result in a higher soot nucleation rate, and that the total soot volume and average size of the particles are predicted in good agreement with experimental results. Subsequently, the effects of different pathways, with respect to pyrene-or coronene-based nucleation models, on the net soot formation rate were analyzed. It was found that the nucleation processes (i.e., soot inception) are sensitive to the choice of PAH precursors, and consideration of higher PAH species beyond pyrene is critical for accurate prediction of the overall soot formation.

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Section: Introductionmentioning

confidence: 99%

A computational study of ethylene–air sooting flames: Effects of large polycyclic aromatic hydrocarbons

Selvaraj

Arias

Lee

et al. 2016

Combustion and Flame

View full text Add to dashboard Cite

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“…Another type of closure is interpolative, as proposed by Frenklach and Harris (1987), hence the name MOMIC (Frenklach 2002). The MOMIC approach has been applied to several modeling studies in both laminar (Kazakov et al 1995;Kazakov and Frenklach 1998;Appel et al 2000;Mehta et al 2009a;Mueller et al 2009a) and turbulent (Lindstedt and Louloudi 2005;Mehta et al 2009bMehta et al , 2010a sooting flames.…”

Section: Methods Of Moments With Interpolative Closure (Momic)mentioning

confidence: 99%

“…Lignell and coworkers (Lignell et al 2008(Lignell et al , 2009) conducted DNS of turbulent nonpremixed sooting flames using the method of moments with logarithmic interpolative closure, employing a semi-empirical soot chemistry description. More recently, a method based on bivariate moment variables Mueller et al 2009a) has been developed and implemented in DNS (Bisetti et al 2009(Bisetti et al , 2012. We have adopted a higher-order method of moments with interpolative closure (MOMIC) in DNS of ethylene-air nonpremixed flames based on detailed gas-phase chemistry to consider more complex soot precursor species, such as PAHs (Arias et al 2011b).…”

Section: Introductionmentioning

confidence: 99%

Development of High Fidelity Soot Aerosol Dynamics Models using Method of Moments with Interpolative Closure

Roy

Arias

Lecoustre

et al. 2014

Aerosol Science and Technology

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The method of moments with interpolative closure (MOMIC) for soot formation and growth provides a detailed modeling framework maintaining a good balance in generality, accuracy, robustness, and computational efficiency. This study presents several computational issues in the development and implementation of the MOMIC-based soot modeling for direct numerical simulations (DNS). The issues of concern include a wide dynamic range of numbers, choice of normalization, high effective Schmidt number of soot particles, and realizability of the soot particle size distribution function (PSDF). These problems are not unique to DNS, but they are often exacerbated by the high-order numerical schemes used in DNS. Four specific issues are discussed in this article: the treatment of soot diffusion, choice of interpolation scheme for MOMIC, an approach to deal with strongly oxidizing environments, and realizability of the PSDF. General, robust, and stable approaches are sought to address these issues, minimizing the use of ad hoc treatments such as clipping. The solutions proposed and demonstrated here are being applied to generate new physical insight into complex turbulence-chemistry-soot-radiation interactions in turbulent reacting flows using DNS.

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“…A common closure approximation for the unknown moments appearing in the formulation is the high-order inter-or extrapolation in moment space (method of moments with interpolative closure, MOMIC) [34]. Here, the socalled hybrid method of moments [35] is used, which combines MOMIC with a quadrature approach and is particularly well suited for multi-modal particle distributions in a multivariate description [33,36].…”

Section: Flow Configuration Models and Methodsmentioning

confidence: 99%

Advancing predictive models for particulate formation in turbulent flames via massively parallel direct numerical simulations

Bisetti

Attili

Pitsch

2014

Phil. Trans. R. Soc. A.

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Combustion of fossil fuels is likely to continue for the near future due to the growing trends in energy consumption worldwide. The increase in efficiency and the reduction of pollutant emissions from combustion devices are pivotal to achieving meaningful levels of carbon abatement as part of the ongoing climate change efforts. Computational fluid dynamics featuring adequate combustion models will play an increasingly important role in the design of more efficient and cleaner industrial burners, internal combustion engines, and combustors for stationary power generation and aircraft propulsion. Today, turbulent combustion modelling is hindered severely by the lack of data that are accurate and sufficiently complete to assess and remedy model deficiencies effectively. In particular, the formation of pollutants is a complex, nonlinear and multi-scale process characterized by the interaction of molecular and turbulent mixing with a multitude of chemical reactions with disparate time scales. The use of direct numerical simulation (DNS) featuring a state of the art description of the underlying chemistry and physical processes has contributed greatly to combustion model development in recent years. In this paper, the analysis of the intricate evolution of soot formation in turbulent flames demonstrates how DNS databases are used to illuminate relevant physico-chemical mechanisms and to identify modelling needs.

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Hybrid Method of Moments for modeling soot formation and growth

Cited by 211 publications

References 27 publications

A computational study of ethylene–air sooting flames: Effects of large polycyclic aromatic hydrocarbons

A computational study of ethylene–air sooting flames: Effects of large polycyclic aromatic hydrocarbons

Development of High Fidelity Soot Aerosol Dynamics Models using Method of Moments with Interpolative Closure

Advancing predictive models for particulate formation in turbulent flames via massively parallel direct numerical simulations

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