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Modeling of Single Porous Char Particle Gasification in Supercritical Water

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Abstract

A deep understanding of the gasification behavior of porous char particle is the premise of the reactor-scale modeling, but there are few studies on the gasification characteristics in supercritical water. Thus, a numerical model for porous char particle gasification in supercritical water was developed in this work, and the effects of particle size, inflow temperature and inflow velocity were studied. Simulation results showed that gasification of the small particle of 0.1 mm lay in zone I regime where the particle radius kept unchanged due to uniform reactions inside the particle and the effectiveness factor increased rapidly after the gasification began due to easy accessibility of supercritical water into the particle. The gasification of the large particle of 1 mm showed typical characteristics in zone II regime that the particle began to shrink at a certain conversion degree, and smaller effectiveness factor was observed due to larger supercritical water concentration gradient inside the particle. As the increase of temperature and particle size, ambient fluid became difficult to flow through the unreacted core, and the Stefan flow was observed to obviously modify the hydrodynamic boundary layer at low Reynolds number. Besides, it is unreasonable to assume isothermal particle for gasification with large particle and high temperature because of the significantly overestimated particle consumption rate.

Article Highlights

  1. 1.

    Numerical simulation was conducted on a porous char particle in supercritical water with structural evolution;

  2. 2.

    Gasification of 0.1 mm and 1 mm particles, respectively, lay in kinetics and pore diffusion-controlled regimes;

  3. 3.

    Stefan flow modified the hydrodynamic boundary layer obviously at low Reynolds number.

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References

  • Adamczyk, W.P., Węcel, G., Klajny, M., Kozołub, P., Klimanek, A., Białecki, R.A.: Modeling of particle transport and combustion phenomena in a large-scale circulating fluidized bed boiler using a hybrid Euler-Lagrange approach. Particuology 16, 29–40 (2014)

    Article  Google Scholar 

  • Backreedy, R., Fletcher, L., Ma, L., Pourkashanian, M., Williams, A.: Modelling pulverised coal combustion using a detailed coal combustion model. Combust. Sci. Technol. 178(4), 763–787 (2006)

    Article  Google Scholar 

  • Beckmann, A.M., Bibrzycki, J., Mancini, M., Szlęk, A., Weber, R.: Mathematical modeling of reactants’ transport and chemistry during oxidation of a millimeter-sized coal-char particle in a hot air stream. Combust. Flame 180, 2–9 (2017)

    Article  Google Scholar 

  • Bhatia, S.K., Perlmutter, D.: A random pore model for fluid-solid reactions: I. Isothermal, kinetic control. AIChE J. 26(3), 379–386 (1980)

    Article  Google Scholar 

  • Bhunia, S., Sadhukhan, A.K., Gupta, P.: Modelling and experimental studies on oxy-fuel combustion of coarse size coal char. Fuel Process. Technol. 158, 73–84 (2017)

    Article  Google Scholar 

  • Chen, T., Ku, X., Lin, J.: CFD simulation of the steam gasification of millimeter-sized char particle using thermally thick treatment. Combust. Flame 213, 63–86 (2020)

    Article  Google Scholar 

  • Dierich, F., Richter, A., Nikrityuk, P.: A fixed-grid model to track the interface and porosity of a chemically reacting moving char particle. Chem. Eng. Sci. 175, 296–305 (2018). https://doi.org/10.1016/j.ces.2017.09.055

    Article  Google Scholar 

  • Ergun, S.: Fluid flow through packed columns. Chem. Eng. Prog. 48, 89–94 (1952)

    Google Scholar 

  • Fan, C., Guo, S., Jin, H.: Numerical study on coal gasification in supercritical water fluidized bed and exploration of complete gasification under mild temperature conditions. Chem. Eng. Sci. 206, 134–145 (2019)

    Article  Google Scholar 

  • Fan, C., Cao, C., Ge, Z., Chen, Y., Jin, H.: Numerical simulation of a reacting porous char particle in supercritical water with structural evolution. Appl. Therm. Eng. 180, 115864 (2020). https://doi.org/10.1016/j.applthermaleng.2020.115864

    Article  Google Scholar 

  • Fong, G.H., Jorgensen, S., Singer, S.L.: Pore-resolving simulation of char particle gasification using micro-CT. Fuel 224, 752–763 (2018)

    Article  Google Scholar 

  • Guo, L., Jin, H.: Boiling coal in water: Hydrogen production and power generation system with zero net CO2 emission based on coal and supercritical water gasification. Int. J. Hydrogen Energy 38(29), 12953–12967 (2013). https://doi.org/10.1016/j.ijhydene.2013.04.089

    Article  Google Scholar 

  • Haugen, N.E.L., Tilghman, M.B., Mitchell, R.E.: The conversion mode of a porous carbon particle during oxidation and gasification. Combust. Flame 161(2), 612–619 (2014)

    Article  Google Scholar 

  • Haugen, N.E.L., Mitchell, R.E., Tilghman, M.B.: A comprehensive model for char particle conversion in environments containing O2 and CO2. Combust. Flame 162(4), 1455–1463 (2015)

    Article  Google Scholar 

  • Jiang, P., Yang, H., Ma, X.: Coal production and consumption analysis, and forecasting of related carbon emission: evidence from China. Carbon Manag. 10(2), 189–208 (2019)

    Article  Google Scholar 

  • Jin, H., Fan, C., Wei, W., Zhang, D., Sun, J., Cao, C.: Evolution of pore structure and produced gases of Zhundong coal particle during gasification in supercritical water. J. Supercrit. Fluids 136, 102–109 (2018)

    Article  Google Scholar 

  • Jin, H., Wang, Y., Wang, H., Wu, Z., Li, X.: Influence of Stefan flow on the drag coefficient and heat transfer of a spherical particle in a supercritical water cross flow. Phys. Fluids 33(2), 023313 (2021)

    Article  Google Scholar 

  • Kaushal, P., Abedi, J., Mahinpey, N.: A comprehensive mathematical model for biomass gasification in a bubbling fluidized bed reactor. Fuel 89(12), 3650–3661 (2010)

    Article  Google Scholar 

  • Li, X., Wu, Z., Wang, H., Jin, H.: The effect of particle wake on the heat transfer characteristics between interactive particles in supercritical water. Chem. Eng. Sci. 247, 117030 (2022)

    Google Scholar 

  • Mitchell, R.E., Ma, L., Kim, B.: On the burning behavior of pulverized coal chars. Combust. Flame 151(3), 426–436 (2007)

    Article  Google Scholar 

  • Numazawa, Y., Saito, Y., Matsushita, Y., Aoki, H.: Large-scale simulation of gasification reaction with mass transfer for metallurgical coke: model development. Fuel 266, 117080 (2020)

    Article  Google Scholar 

  • Rabaçal, M., Costa, M., Vascellari, M., Hasse, C., Rieth, M., Kempf, A.M.: A large eddy simulation study on the effect of devolatilization modelling and char combustion mode modelling on the structure of a large-scale, biomass and coal co-fired flame. J. Combust. 2018, 7036425 (2018)

    Article  Google Scholar 

  • Ren, Z., Guo, L., Jin, H., Luo, K.: Integration of CFD codes and radiation model for supercritical water gasification of coal in fluidized bed reactor. In: International Heat Transfer Conference Digital Library 2018. Begel House Inc.

  • Sadhukhan, A.K., Gupta, P., Kumar Saha, R.: Modeling and experimental studies on combustion characteristics of porous coal char: Volume reaction model. Int. J. Chem. Kinet. 42(5), 299–315 (2010a)

    Article  Google Scholar 

  • Sadhukhan, A.K., Gupta, P., Saha, R.K.: Modelling of combustion characteristics of high ash coal char particles at high pressure: Shrinking reactive core model. Fuel 89(1), 162–169 (2010b)

    Article  Google Scholar 

  • Senneca, O., Salatino, P.: Loss of gasification reactivity toward O2 and CO2 upon heat treatment of carbons. Proc. Combust. Inst. 29(1), 485–493 (2002)

    Article  Google Scholar 

  • Singer, S.L., Ghoniem, A.F.: Comprehensive gasification modeling of char particles with multi-modal pore structures. Combust. Flame 160(1), 120–137 (2013)

    Article  Google Scholar 

  • Su, X., Guo, L., Jin, H.: Mathematical Modeling for Coal Gasification Kinetics in Supercritical Water. Energy Fuels 30(11), 9028–9035 (2016)

    Article  Google Scholar 

  • Szekely, J.: Gas-Solid Reactions. Elsevier, New York (2012)

    Google Scholar 

  • Tufano, G.L., Stein, O.T., Kronenburg, A., Gentile, G., Stagni, A., Frassoldati, A., Faravelli, T., Kempf, A.M., Vascellari, M., Hasse, C.: Fully-resolved simulations of coal particle combustion using a detailed multi-step approach for heterogeneous kinetics. Fuel 240, 75–83 (2019). https://doi.org/10.1016/j.fuel.2018.11.139

    Article  Google Scholar 

  • Vascellari, M., Roberts, D.G., Harris, D.J., Hasse, C.: From laboratory-scale experiments to industrial-scale CFD simulations of entrained flow coal gasification. Fuel 152, 58–73 (2015)

    Article  Google Scholar 

  • Wagner, W., Cooper, J.R., Dittmann, A., Kijima, J., Kretzschmar, H.-J., Kruse, A., Mareš, R., Oguchi, K., Sato, H., Stöcker, I., Šifner, O., Takaishi, Y., Tanishita, I., Trübenbach, J., Willkommen, T.: The IAPWS industrial formulation 1997 for the thermodynamic properties of water and steam. J. Eng. Gas Turbines Power 122(1), 150–184 (2000). https://doi.org/10.1115/1.483186

    Article  Google Scholar 

  • Wittig, K., Nikrityuk, P.A., Schulze, S., Richter, A.: Three-dimensional modeling of porosity development during the gasification of a char particle. AIChE J. 63(5), 1638–1647 (2017)

    Article  Google Scholar 

  • Yuan, J., Na, C., Lei, Q., Xiong, M., Guo, J., Hu, Z.: Coal use for power generation in China. Resour. Conserv. Recycl. 129, 443–453 (2018)

    Article  Google Scholar 

  • Zhang, Z., Li, Z., Cai, N.: Reduced-order model of char burning for CFD modeling. Combust. Flame 165, 83–96 (2016)

    Article  Google Scholar 

  • Zhang, H., Luo, K., Haugen, N.E.L., Mao, C., Fan, J.: Drag force for a burning particle. Combust. Flame 217, 188–199 (2020)

    Article  Google Scholar 

  • Zhao, X., Jin, H.: Correlation for diffusion coefficients of H2, CH4, CO, O2 and CO2 in supercritical water from molecular dynamics simulation. Appl. Therm. Eng. 171, 114941 (2020)

    Article  Google Scholar 

  • Zhao, S., Wang, C., Bai, B., Jin, H., Wei, W.: Study on the polystyrene plastic degradation in supercritical water/CO2 mixed environment and carbon fixation of polystyrene plastic in CO2 environment. J. Hazard. Mater. 421, 126763 (2021)

    Article  Google Scholar 

Download references

Acknowledgements

This work was financially supported by the National Natural Science Foundation of China (51922086) and the National Key R&D Program of China (2020YFA0714400).

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  1. State Key Laboratory of Multiphase Flow in Power Engineering (SKLMF), Xi’an Jiaotong University, 28 Xianning West Road, Xi’an, 710049, Shaanxi, China

    Chao Fan, Qiuyang Zhao, Jialing Xu & Hui Jin

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  1. Chao Fan
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  2. Qiuyang Zhao
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  3. Jialing Xu
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  4. Hui Jin
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Correspondence to Hui Jin.

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Fan, C., Zhao, Q., Xu, J. et al. Modeling of Single Porous Char Particle Gasification in Supercritical Water. Transp Porous Med 140, 851–867 (2021). https://doi.org/10.1007/s11242-021-01698-9

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