Skip to main content
SpringerLink
Log in

Toward the modeling of combustion reactions through discrete element method (DEM) simulations

  • Published:
Computational Particle Mechanics Aims and scope Submit manuscript

Abstract

In this work, the process of combustion of coal particles under turbulent regime in a high-temperature reaction chamber is modeled through 3D discrete element method (DEM) simulations. By assuming the occurrence of interfacial transport phenomena between the gas and solid phases, one investigates the influence of the physicochemical properties of particles on the rates of heterogeneous chemical reactions, as well as the influence of eddies present in the gas phase on the mass transport of reactants toward the coal particles surface. Moreover, by considering a simplistic chemical mechanism for the combustion process, thermochemical and kinetic parameters obtained from the simulations are employed to discuss some phenomenological aspects of the combustion process. In particular, the observed changes in the mass and volume of coal particles during the gasification and combustion steps are discussed by emphasizing the changes in the chemical structure of the coal. In addition to illustrate how DEM simulations can be used in the modeling of consecutive and parallel chemical reactions, this work also shows how heterogeneous and homogeneous chemical reactions become a source of mass and energy for the gas phase.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9
Fig. 10

Similar content being viewed by others

References

  1. Alobaid F, Ströhle J, Epple B (2013) Extended CFD/DEM model for the simulation of circulating fluidized bed. Adv Powder Technol 24:403–415

    Article  Google Scholar 

  2. ANSYS Inc. (2012) Tutorial: multiple char reactions. Canonsburg

  3. ANSYS Inc. (2015) ANSYS Fluent 16.2. Canonsburg

  4. ANSYS Inc. (2015) ANSYS fluent theory guide release 16.2. Canonsburg

  5. Badzioch S, Hawksley PGW (1970) Kinetics of thermal decomposition of pulverized coal particles. Ind Eng Chem Process Des Dev 9:521–530

    Article  Google Scholar 

  6. Boyd RK, Kent JH (1988) Three-dimensional furnace computer modeling. Symp (Int) Combust 21:265–274

    Article  Google Scholar 

  7. Bulíček M, Málek J, Rajagopal KR (2012) On Kelvin–Voigt model and its generalizations. Evol Equ Contr Theor 01:17–42

    Article  MathSciNet  Google Scholar 

  8. Cundall PA, Strack OD (1979) A discrete numerical model for granular assemblies. Geotechnique 29:47–65

    Article  Google Scholar 

  9. Deen NG, van Sint Amaland M, van der Hoef MA, Kuipers JAM (2007) Review of discrete particle modeling of fluidized beds. Chem Eng Sci 62:28–44

    Article  Google Scholar 

  10. Fan L, Zhu C (2005) Principles of gas-solid flows. Cambridge Press, Cambridge

    MATH  Google Scholar 

  11. Hayes RE, Kolaczkowski ST (1997) Introduction to catalytic combustion. Gordon and Breach Science Publishers, Amsterdam

    Google Scholar 

  12. Hutter K, Jöhnk KJ (2004) Continuum methods of physical modeling: continuum mechanics, dimensional analysis, turbulence. Springer, Berlin

    Book  Google Scholar 

  13. Krugel-Emden H, Simsek E, Rickelt S, Wirtz S, Scherer V (2007) Review and extension of normal force models for the discrete element method. Powder Technol 11:157–173

    Article  Google Scholar 

  14. Kumar KV, Porkadi K, Rocha F (2008) Langmuir–Hinshelwood kinetics—a theoretical study. Catal Commun 9:82–84

    Article  Google Scholar 

  15. Lide DR (ed) (2009) CRC handbook of chemistry and physics, 89th edn. CRC Press, Boca Raton

    Google Scholar 

  16. Magnussen BF (1981) On the structure of turbulence and a generalized eddy dissipation concept for chemical reaction in turbulent flow. American Institute of Aeronautics and Astronautics, Saint Louis

    Book  Google Scholar 

  17. Magnussen BF, Hjertager BH (1977) On mathematical modeling of turbulent combustion with special emphasis on sort formation and combustion. Symp (Int) Combust 16:719–729

    Article  Google Scholar 

  18. Manion JA, Huie RE, Levin RD, B DR Jr, Orkin VL, Tsang W, McGiven WS, Hudgens JW, Knyazev VD, Atkinson DB, Chai E, Tereza AM, Lin C, Allison T, Mallard WG, Westley F, Herron JT, Hampson RF, Frizzell DH (2015) NIST chemical kinetics database 17. National Institute of Standards and Technology, Gaithersburg

  19. O‘Rourke PJ (1981) Collective drop effects on vaporizing liquid sprays. Princeton University Press, Princeton

    Google Scholar 

  20. Readey DW (2016) Kinetics in materials science and engineering. CRC Press, Boca Raton

    Google Scholar 

  21. Reis MC, Wang Y (2017) A two-fluid model for reactive dilute solid-liquid mixtures with phase changes. Continuum Mech Thermodyn 29:509–534

    Article  MathSciNet  Google Scholar 

  22. Sommerfeld M, van Wachen B, Oliemans R (2008) Best practice guidelines for computational fluid dynamics of dispersed multi-phase flows. ERCOFTAC, Bedford

    Google Scholar 

  23. Somorjai GA, Li Y (2010) Introduction to surface chemistry and catalysis, 2nd edn. Wiley, Hoboken

    Google Scholar 

  24. Warnatz J, Maas U, Dibble R (2006) Combustion: physical and chemical fundamentals, modeling and simulation, experiments, pollutant formation. Springer, Berlin

    MATH  Google Scholar 

Download references

Funding

The first author acknowledges Brazilian Coordination for the Improvement of Higher Education Personnel (CAPES) and Alexander von Humboldt Stiftung for the financial support (Process BEX 8227/14-4).

Author information

Authors and Affiliations

  1. Institute of Chemistry, University of Campinas- UNICAMP, Campinas, São Paulo, Brazil

    Martina Costa Reis

  2. Institut Energiesysteme und Energietechnik, Technische Universität Darmstadt, Darmstadt, Germany

    Falah Alobaid

  3. Fachgebiet Strömungsdynamik, Technische Universität Darmstadt, Darmstadt, Germany

    Yongqi Wang

Authors
  1. Martina Costa Reis
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Falah Alobaid
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Yongqi Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Martina Costa Reis.

Ethics declarations

Conflict of interest

The authors declare that they have no conflict of interest.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Reis, M.C., Alobaid, F. & Wang, Y. Toward the modeling of combustion reactions through discrete element method (DEM) simulations. Comp. Part. Mech. 5, 579–591 (2018). https://doi.org/10.1007/s40571-018-0191-x

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s40571-018-0191-x

Keywords

Search

Navigation