GUO Wei;YANG Panxi;YU Zunyi;GAO Kun;WANG Jing;ZHANG Jie;DANG Minhui;YANG Bolun;WU Zhiqiang;

• 1:Shanxi Key Laboratory of Energy Chemical Process Intensifcation
• 2:School of Chemical Engineering and Technology
• 3:Xi′an Jiaotong University
• 4:Shaanxi Coal and Chemical Industry Group Co.

Abstract：

The Chemicalpercolation devolatilization(CPD) model is used to simulate the devolatilization of coal under the condition of rapid heating, which can predict the real-time yield of tar, semi-coke and light gas. The model is based on a lattice model to construct the chemical structure of coal, and the structural parameters of coal are calculated by solid ~(13)C-NMR experiment. It has the characteristics of the wide applicability of coal types and a few input parameters, and has attracted the wide attention of researchers in the field of engineering thermochemistry. Firstly, the development history of the CPD model, the assumption of raw material structure and pyrolysis reaction path, and the calculation of structural and kinetic parameters were introduced. The application progress of the CPD model in the thermochemical conversion of carbon-based solid materials such as coal, oil shale, and biomass was summarized. To improve the accuracy and applicability of the CPD model in the field of coal thermochemical conversion, Chinese scholars have established a more accurate calculation method of lattice parameters according to the structural analysis of of Chinese coal species. By improving the pyrolysis reaction path and correcting the kinetic parameters in the CPD model, the model is closer to the real pyrolysis process. By correcting the temperature gradient distribution in coal particles makes the simulation results closer to the actual working condition. In terms of thermal conversion of oil shale, a CPD model of thermal conversion of oil shale was established based on the chemical structure characteristics and pyrolysis kinetic parameters of oil shale. The CPD model of biomass was established based on the analysis of biomass structure and reaction characteristics, and the applicability of the model was expanded by improving the chemical structure, pyrolysis reaction path, and kinetic parameters. Although the CPD model has been widely used, the fitting parameters obtained from coal elemental analysis and industrial analysis are narrow in the range of coal types, and the accuracy needs to be improved. Therefore, a more accurate structural model of carbon-based solid raw materials can be built through means of chemical structure characterization. The CPD model greatly simplifies the reaction process of coal and needs to be modified according to the actual pyrolysis reaction path of coal, including considering the secondary reaction, the coupling between tars, and the change of free radicals in the reaction. The existing CPD model does not consider the stress of coal in the underground thermal conversion process, so it needs to be improved from the high-pressure reaction conditions to improve the applicability of the model.

Key Words： CPD model;pyrolysis of coal;oil shale;biomass;engineering thermochemistry

Abstract:

Keywords:

Foundation: 陕西省自然科学基础研究计划-陕煤联合基金资助项目(2021JLM-17);; 陕西省秦创原“科学家+工程师”队伍建设资助项目(2022KXJ-126)

Authors: GUO Wei;YANG Panxi;YU Zunyi;GAO Kun;WANG Jing;ZHANG Jie;DANG Minhui;YANG Bolun;WU Zhiqiang;

DOI: 10.13226/j.issn.1006-6772.RM22112701

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