化学渗透脱挥发分模型（Chemical Percolation Devolatilization, CPD）用于快速升温条件下煤炭脱挥发分的模拟，可以预测不同煤种热解过程中焦油、半焦和轻质气体的实时产率。模型基于晶格模型构建煤炭化学结构，具有煤种适用性广、输入参数少的特点，得到广泛关注。首先介绍了CPD模型的发展历程、煤炭模型构建方法和热解反应路径假设与动力学参数计算等，进而综述了CPD模型在煤炭、油页岩和生物质等碳基固体原料热化学转化领域的应用进展。为提高CPD模型在煤炭热转化领域的准确性和适用性，我国学者根据中国煤种结构分析建立了更准确的晶格参数计算方法。通过改进CPD模型中热解反应路径并修正动力学参数使模型更接近真实热解过程，通过对煤颗粒内部温度梯度分布修正及算法改进使得模拟更接近实际热解工况。在油页岩热转化方面，相关学者从油页岩中干酪根化学结构出发，结合油页岩热解特性建立了用于描述其热转化的CPD模型。通过分析生物质的结构特点和反应特性建立了生物质CPD模型，并从化学结构、热解反应路径以及动力学参数等方面进行改进来扩展模型的适用性。CPD模型虽然已得到了广泛应用，但根据煤炭元素分析和工业分析获得拟合参数适用的煤种范围较窄，准确性有待提高，需要进一步通过化学结构表征的方法建立更准确的碳基固体原料结构模型。CPD模型对热解反应过程进行了较大简化，需要根据实际热解反应路径进行修正，包括考虑煤炭热解过程中的二次反应、焦油之间的偶联、反应中自由基变化等问题。现有的CPD模型未考虑煤炭地下热转化过程的应力作用，需要从力-热耦合等复杂反应条件出发进行改进以提高模型的适用性。

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 13C-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.

0 引言

1 CPD模型简介

   1.1 CPD模型发展历程

   1.2 基于晶格网络的煤炭模型构建方法

   1.3 快速热解过程建模

2 CPD模型在不同类型碳基固体原料热转化的应用

   2.1 煤炭

   2.2 油页岩

   2.3 生物质

3 结语及展望