SCI和EI收录∣中国化工学会会刊

中国化学工程学报 ›› 2022, Vol. 42 ›› Issue (2): 261-268.DOI: 10.1016/j.cjche.2021.03.054

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Heterogeneous numerical modelling for the auto thermal reforming of crude glycerol in a fixed bed reactor

Jason Williams1, Hussameldin Ibrahim1, Nima Karimi2, Kelvin Tsun Wai Ng2   

  1. 1. Clean Energy Technologies Research Institute, Process Systems Engineering, Faculty of Engineering and Applied Science, University of Regina, Regina SK S4S 0A2, Canada;
    2. Environmental Systems Engineering, Faculty of Engineering and Applied Science, University of Regina, Regina SK S4S 0A2, Canada
  • 收稿日期:2020-05-17 修回日期:2021-03-27 出版日期:2022-02-28 发布日期:2022-03-30
  • 通讯作者: Hussameldin Ibrahim,E-mail:hussameldin.ibrahim@uregina.ca
  • 基金资助:
    The authors are grateful for the financial support provided by the Natural Science and Engineering Research Council of Canada (NSERC) and the Canada Foundation for Innovation (CFI). The authors would like to also acknowledge the Clean Energy Technologies Research Institute (CETRI) for providing access to the Simulation Laboratory to conduct this work. The views expressed herein are those of the writers and not necessarily those of our research and funding partners.

Heterogeneous numerical modelling for the auto thermal reforming of crude glycerol in a fixed bed reactor

Jason Williams1, Hussameldin Ibrahim1, Nima Karimi2, Kelvin Tsun Wai Ng2   

  1. 1. Clean Energy Technologies Research Institute, Process Systems Engineering, Faculty of Engineering and Applied Science, University of Regina, Regina SK S4S 0A2, Canada;
    2. Environmental Systems Engineering, Faculty of Engineering and Applied Science, University of Regina, Regina SK S4S 0A2, Canada
  • Received:2020-05-17 Revised:2021-03-27 Online:2022-02-28 Published:2022-03-30
  • Contact: Hussameldin Ibrahim,E-mail:hussameldin.ibrahim@uregina.ca
  • Supported by:
    The authors are grateful for the financial support provided by the Natural Science and Engineering Research Council of Canada (NSERC) and the Canada Foundation for Innovation (CFI). The authors would like to also acknowledge the Clean Energy Technologies Research Institute (CETRI) for providing access to the Simulation Laboratory to conduct this work. The views expressed herein are those of the writers and not necessarily those of our research and funding partners.

摘要: A mathematical model for the catalytic autothermal reforming (ATR) reaction of synthetic crude glycerol to hydrogen in a fixed bed tubular reactor (FBTR) and over an in-house developed metal oxide catalyst is presented in this work. The heterogeneous model equations account for a two-phase system of solid catalyst and bulk feed gas. Also, the ATR of crude glycerol reaction scheme and intrinsic kinetic rate model over an active, selective, and stable nickel-based catalyst were integrated in the developed model. Also, the model was validated using experimental data generated in our labs for the ATR of synthetic crude glycerol. The modelling results adequately described the detailed gas product composition and distribution, temperature profiles, and conversion propagation in the axial direction of the fixed bed reactor over a wide range of reaction temperature (773-923 K) and mass-time (12.71-158.23 g cat·min·(mol C)-1). The crude glycerol conversion predicted with the model showing a close resemblance to those obtained experimentally with an average absolute deviation (AAD) of less than 8%. The maximum crude glycerol conversion and hydrogen yield were found to be 92% and 3 mol hydrogen/mol crude glycerol, respectively. Also, the gas product concentration profile in the reactor was adequately described (90%) accuracy with a hydrogen concentration of 39% (volume).

关键词: Hydrogen, crude glycerol, Autothermal reforming, Numerical analysis, Fixed-bed reactor

Abstract: A mathematical model for the catalytic autothermal reforming (ATR) reaction of synthetic crude glycerol to hydrogen in a fixed bed tubular reactor (FBTR) and over an in-house developed metal oxide catalyst is presented in this work. The heterogeneous model equations account for a two-phase system of solid catalyst and bulk feed gas. Also, the ATR of crude glycerol reaction scheme and intrinsic kinetic rate model over an active, selective, and stable nickel-based catalyst were integrated in the developed model. Also, the model was validated using experimental data generated in our labs for the ATR of synthetic crude glycerol. The modelling results adequately described the detailed gas product composition and distribution, temperature profiles, and conversion propagation in the axial direction of the fixed bed reactor over a wide range of reaction temperature (773-923 K) and mass-time (12.71-158.23 g cat·min·(mol C)-1). The crude glycerol conversion predicted with the model showing a close resemblance to those obtained experimentally with an average absolute deviation (AAD) of less than 8%. The maximum crude glycerol conversion and hydrogen yield were found to be 92% and 3 mol hydrogen/mol crude glycerol, respectively. Also, the gas product concentration profile in the reactor was adequately described (90%) accuracy with a hydrogen concentration of 39% (volume).

Key words: Hydrogen, crude glycerol, Autothermal reforming, Numerical analysis, Fixed-bed reactor