Gene expression programming (GEP) as novel tool for thermal analysis and kinetic modeling of pyrolysis reactions: coal pyrolysis case study

• Published in: Engineering computations Vol. 41; no. 4; pp. 842 - 864
• Main Authors: Najafi, Hamidreza, Golrokh Sani, Ahmad, Sobati, Mohammad Amin
• Format: Journal Article
• Language: English
• Published: Bradford Emerald Publishing Limited 13.06.2024; Emerald Group Publishing Limited
• Subjects: Case studies; Coal; Decomposition; Gene expression; Heating rate; Mathematical models; Modelling; Pyrolysis; Raw materials; Solid state; Thermal analysis; Triplets; Thermal conversion; Thermogravimetric analysis; Reaction model; Evolutionary algorithm; Dynamic heating rate
• ISSN: 0264-4401; 1758-7077
• DOI: 10.1108/EC-04-2023-0153

PurposeIn this study, a different approach is introduced to generate the kinetic sub-model for the modeling of solid-state pyrolysis reactions based on the thermogravimetric (TG) experimental data over a specified range of heating rates. Gene Expression Programming (GEP) is used to produce a correlation for the single-step global reaction rate as a function of determining kinetic variables, namely conversion, temperature, and heating rate.Design/methodology/approachFor a case study on the coal pyrolysis, a coefficient of determination (R2) of 0.99 was obtained using the generated model according to the experimental benchmark data. Comparison of the model results with the experimental data proves the applicability, reliability, and convenience of GEP as a powerful tool for modeling purposes in the solid-state pyrolysis reactions.FindingsThe resulting kinetic sub-model takes advantage of particular characteristics, to be highly efficient, simple, accurate, and computationally attractive, which facilitates the CFD simulation of real pyrolizers under isothermal and non-isothermal conditions.Originality/valueIt should be emphasized that the above-mentioned manuscript is not under evaluation in any journals and submitted exclusively for consideration for possible publication in this journal. The generated kinetic model is in the final form of an algebraic correlation which, in comparison to the conventional kinetic models, suggests several advantages: to be relatively simpler, more accurate, and numerically efficient. These characteristics make the proposed model computationally attractive when used as a sub-model in CFD applications to simulate real pyrolizers under complex heating conditions.