Modeling soot formation from solid complex fuels

Josephson, Alexander J.; Linn, Rod R.; Lignell, David O.

doi:10.1016/j.combustflame.2018.06.020

Title: Modeling soot formation from solid complex fuels

Abstract

A detailed model is proposed for predicting soot formation from complex solid fuels. The proposed model resolves two particle size distributions, one for soot precursors and another for soot particles. The precursor size distribution is represented with a sectional approach while the soot particle-size distribution is represented with the method of moments and an interpolative closure method is used to resolve fractional methods. Based on established mechanisms, this model includes submodels for precursor coagulation, growth, and consumption, as well as soot nucleation, surface growth, agglomeration, and consumption. The model is validated with comparisons to experimental data for two systems: coal combustion over a laminar flat-flame burner and biomass gasification. Here, results are presented for soot yield for three coals at three temperatures each, and for soot yield from three types of biomass at two temperatures each. Finally, these results represent a wide range of fuels and varying combustion environments, demonstrating the broad applicability of the model.

Authors:

^[1]; Linn, Rod R. ^[2];

^[3]

Brigham Young Univ., Provo, UT (United States). Dept. of Chemical Engineering; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Brigham Young Univ., Provo, UT (United States). Dept. of Chemical Engineering

Publication Date:: Sun Jul 08 00:00:00 EDT 2018

Research Org.:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1463558

Alternate Identifier(s):: OSTI ID: 1582658; OSTI ID: 1601019

Report Number(s):: LA-UR-18-21447
Journal ID: ISSN 0010-2180

Grant/Contract Number:: AC52-06NA25396; NA0002375

Resource Type:: Accepted Manuscript

Journal Name:: Combustion and Flame

Additional Journal Information:: Journal Volume: 196; Journal Issue: C; Journal ID: ISSN 0010-2180

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 01 COAL, LIGNITE, AND PEAT; 09 BIOMASS FUELS; Energy Sciences; soot formation coal and biomass combustion method of moments; 97 MATHEMATICS AND COMPUTING; soot formation; coal; biomass; method of moments

Citation Formats


                    Josephson, Alexander J., Linn, Rod R., and Lignell, David O. Modeling soot formation from solid complex fuels.  United States: N. p., 2018. 
Web.  doi:10.1016/j.combustflame.2018.06.020.

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                    Josephson, Alexander J., Linn, Rod R., & Lignell, David O. Modeling soot formation from solid complex fuels.  United States.  https://doi.org/10.1016/j.combustflame.2018.06.020

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                    Josephson, Alexander J., Linn, Rod R., and Lignell, David O. Sun .  
"Modeling soot formation from solid complex fuels".  United States.  https://doi.org/10.1016/j.combustflame.2018.06.020.  https://www.osti.gov/servlets/purl/1463558.

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@article{osti_1463558,

  title        = {Modeling soot formation from solid complex fuels},

  author       = {Josephson, Alexander J. and Linn, Rod R. and Lignell, David O.},

  abstractNote = {A detailed model is proposed for predicting soot formation from complex solid fuels. The proposed model resolves two particle size distributions, one for soot precursors and another for soot particles. The precursor size distribution is represented with a sectional approach while the soot particle-size distribution is represented with the method of moments and an interpolative closure method is used to resolve fractional methods. Based on established mechanisms, this model includes submodels for precursor coagulation, growth, and consumption, as well as soot nucleation, surface growth, agglomeration, and consumption. The model is validated with comparisons to experimental data for two systems: coal combustion over a laminar flat-flame burner and biomass gasification. Here, results are presented for soot yield for three coals at three temperatures each, and for soot yield from three types of biomass at two temperatures each. Finally, these results represent a wide range of fuels and varying combustion environments, demonstrating the broad applicability of the model.},

  doi          = {10.1016/j.combustflame.2018.06.020},

  journal      = {Combustion and Flame},

  number       = C,

  volume       = 196,

  place        = {United States},

  year         = {Sun Jul 08 00:00:00 EDT 2018},

  month        = {Sun Jul 08 00:00:00 EDT 2018}

}

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Works referencing / citing this record:

Reduction of a detailed soot model for simulations of pyrolysing solid fuels
journal, August 2019

Josephson, Alexander J.; Hopkins, Emily M.; Lignell, David O.
Combustion Theory and Modelling, Vol. 24, Issue 1
DOI: 10.1080/13647830.2019.1656823

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Similar Records

Title: Modeling soot formation from solid complex fuels

Abstract

Citation Formats

Modeling soot formation in premixed flames using an Extended Conditional Quadrature Method of Moments journal, June 2015

Models of soot formation and oxidation journal, January 1997

Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons journal, April 2000

Method of moments with interpolative closure journal, June 2002

Development and application of a comprehensive soot model for 3D CFD reacting flow studies in a diesel engine journal, October 2005

Hybrid Method of Moments for modeling soot formation and growth journal, June 2009

Modeling Formation and Oxidation of Soot in Nonpremixed Flames journal, March 2013

Detailed Mechanism and Modeling of Soot Particle Formation book, January 1994

Soot in coal combustion systems journal, January 1997

Experimental study and global model of PAH formation from coal combustion journal, March 2007

On the rank-dependence of coal tar secondary reactions journal, January 2011

Modeling Soot Derived from Pulverized Coal journal, July 1998

Revision to Modeling Soot Derived from Pulverized Coal journal, May 2016

Combustion of pulverised coal and biomass journal, January 2001

Transient model for soot formation during the combustion of single coal particles journal, January 2017

The Coagulation of Soot Particles with van der Waals Forces journal, June 1988

The kinetics of polynuclear aromatic hydrocarbon agglomeration in flames journal, January 1991

Soot nucleation and growth in acetylene air laminar coflowing jet diffusion flames journal, February 1996

Formation of nascent soot and other condensed-phase materials in flames journal, January 2011

Reaction pathway for nascent soot in ethylene pyrolysis journal, May 2016

Detailed kinetic modeling of soot aggregate formation in laminar premixed flames journal, January 2005

Coal flash pyrolysis: secondary cracking of tar vapours in the range 870–2000 K☆ journal, April 1987

Kinetics of vapor-phase secondary reactions of prompt coal pyrolysis tars journal, September 1987

Soot inception temperature and the carbonization rate of precursor particles journal, August 2002

Tar Formation and Destruction in a Fixed Bed Reactor Simulating Downdraft Gasification: Effect of Reaction Conditions on Tar Cracking Products journal, February 2014

Characteristics and kinetics of biomass tar cracking in a micro fluidized bed journal, January 2015

Modeling of tar thermal cracking in a plasma reactor journal, August 2016

Evolution of Aromatic Tar Composition in Relation to Methane and Ethylene from Biomass Pyrolysis-Gasification journal, September 2011

Detailed modeling of soot particle nucleation and growth journal, January 1991

An assessment of gas-phase reaction mechanisms and soot models for laminar atmospheric-pressure ethylene–air flames journal, January 2009

The roles of pah and acetylene in soot nucleation and growth journal, January 1992

Unimolecular reaction mechanisms involving C3H4, C4H4, and C6H6 hydrocarbon species journal, January 1992

Detailed numerical modeling of PAH formation and growth in non-premixed ethylene and ethane flames journal, March 2012

PAH Growth Initiated by Propargyl Addition: Mechanism Development and Computational Kinetics journal, April 2014

Optimized rate expressions for soot oxidation by OH and O2 journal, May 2016

Soot formation and oxidation during bio-oil gasification: experiments and modeling journal, September 2013

Detailed Kinetic Analysis of Soot Oxidation by NO 2 , NO, and NO + O 2 journal, February 2012

Modeling Soot Oxidation and Gasification with Bayesian Statistics journal, September 2017

Effects of several types of biomass fuels on the yield, nanostructure and reactivity of soot from fast pyrolysis at high temperatures journal, June 2016

Design and characterization of a linear Hencken-type burner journal, November 2016

Chemical percolation model for devolatilization. 3. Direct use of carbon-13 NMR data to predict effects of coal type journal, July 1992

An experimental study of the soot formed in the pyrolysis of acetylene journal, August 2005

Does distance among biomass particles affect soot formation in an entrained flow gasification process? journal, January 2016

Prediction of Sawdust Pyrolysis Yields from a Flat-Flame Burner Using the CPD Model journal, January 2013

High temperature hydrogen sulfide adsorption on activated carbon journal, January 2000

Thermal fragmentation and deactivation of combustion-generated soot particles journal, September 2014

Modeling of Oxidation-Driven Soot Aggregate Fragmentation in a Laminar Coflow Diffusion Flame journal, June 2010

A simplified reaction mechanism for soot formation in nonpremixed flames journal, December 1991

Reduction of a detailed soot model for simulations of pyrolysing solid fuels journal, August 2019

Modeling soot formation in premixed flames using an Extended Conditional Quadrature Method of Moments
journal, June 2015

Models of soot formation and oxidation
journal, January 1997

Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons
journal, April 2000

Method of moments with interpolative closure
journal, June 2002

Development and application of a comprehensive soot model for 3D CFD reacting flow studies in a diesel engine
journal, October 2005

Hybrid Method of Moments for modeling soot formation and growth
journal, June 2009

Modeling Formation and Oxidation of Soot in Nonpremixed Flames
journal, March 2013

Detailed Mechanism and Modeling of Soot Particle Formation
book, January 1994

Soot in coal combustion systems
journal, January 1997

Experimental study and global model of PAH formation from coal combustion
journal, March 2007

On the rank-dependence of coal tar secondary reactions
journal, January 2011

Modeling Soot Derived from Pulverized Coal
journal, July 1998

Revision to Modeling Soot Derived from Pulverized Coal
journal, May 2016

Combustion of pulverised coal and biomass
journal, January 2001

Transient model for soot formation during the combustion of single coal particles
journal, January 2017

The Coagulation of Soot Particles with van der Waals Forces
journal, June 1988

The kinetics of polynuclear aromatic hydrocarbon agglomeration in flames
journal, January 1991

Soot nucleation and growth in acetylene air laminar coflowing jet diffusion flames
journal, February 1996

Formation of nascent soot and other condensed-phase materials in flames
journal, January 2011

Reaction pathway for nascent soot in ethylene pyrolysis
journal, May 2016

Detailed kinetic modeling of soot aggregate formation in laminar premixed flames
journal, January 2005

Coal flash pyrolysis: secondary cracking of tar vapours in the range 870–2000 K☆
journal, April 1987

Kinetics of vapor-phase secondary reactions of prompt coal pyrolysis tars
journal, September 1987

Soot inception temperature and the carbonization rate of precursor particles
journal, August 2002

Tar Formation and Destruction in a Fixed Bed Reactor Simulating Downdraft Gasification: Effect of Reaction Conditions on Tar Cracking Products
journal, February 2014

Characteristics and kinetics of biomass tar cracking in a micro fluidized bed
journal, January 2015

Modeling of tar thermal cracking in a plasma reactor
journal, August 2016

Evolution of Aromatic Tar Composition in Relation to Methane and Ethylene from Biomass Pyrolysis-Gasification
journal, September 2011

Detailed modeling of soot particle nucleation and growth
journal, January 1991

An assessment of gas-phase reaction mechanisms and soot models for laminar atmospheric-pressure ethylene–air flames
journal, January 2009

The roles of pah and acetylene in soot nucleation and growth
journal, January 1992

Unimolecular reaction mechanisms involving C3H4, C4H4, and C6H6 hydrocarbon species
journal, January 1992

Detailed numerical modeling of PAH formation and growth in non-premixed ethylene and ethane flames
journal, March 2012

PAH Growth Initiated by Propargyl Addition: Mechanism Development and Computational Kinetics
journal, April 2014

Optimized rate expressions for soot oxidation by OH and O2
journal, May 2016

Soot formation and oxidation during bio-oil gasification: experiments and modeling
journal, September 2013

Detailed Kinetic Analysis of Soot Oxidation by NO ₂ , NO, and NO + O ₂
journal, February 2012

Modeling Soot Oxidation and Gasification with Bayesian Statistics
journal, September 2017

Effects of several types of biomass fuels on the yield, nanostructure and reactivity of soot from fast pyrolysis at high temperatures
journal, June 2016

Design and characterization of a linear Hencken-type burner
journal, November 2016

Chemical percolation model for devolatilization. 3. Direct use of carbon-13 NMR data to predict effects of coal type
journal, July 1992

An experimental study of the soot formed in the pyrolysis of acetylene
journal, August 2005

Does distance among biomass particles affect soot formation in an entrained flow gasification process?
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Modeling of Oxidation-Driven Soot Aggregate Fragmentation in a Laminar Coflow Diffusion Flame
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