Abstract An accurate and computationally efficient model for the vaporization of many tar species during coal particle pyrolysis has been developed. Like previous models, the molecular fragments generated by thermal decomposition are partitioned into liquid metaplast, which remains in the particle, and vapor, which escapes as tar, using a vapor-liquid equilibrium (VLE) sub-model. Multicomponent VLE is formulated as a rate-based process, which results in an ordinary differential equation (ODE) for every species. To reduce the computational expense of solving many ODEs, the model treats tar and metaplast species as a continuous distribution of molecular weight. To improve upon the accuracy of previous continuous thermodynamic approaches for pyrolysis, the direct quadrature method of moments (DQMoM) is proposed to solve for the evolving distributions without assuming any functional form. An inexpensive delumping procedure is also utilized to recover the time-dependent mole fractions and fluxes for every discrete species. The model is well-suited for coal-to-chemicals processes, and any application which requires information on a range of tar species. Using a modified CPD model as the basis for implementation of the VLE submodel, agreement between the full discrete model and DQMoM with delumping is excellent, with substantial computational savings.

中文翻译：

---

用于详细焦油物质汽化的高效煤热解模型

摘要 已开发出一种准确且计算效率高的模型，用于在煤颗粒热解过程中多种焦油物质的蒸发。与之前的模型一样，使用汽液平衡 (VLE) 子模型，由热分解产生的分子碎片被分成留在颗粒中的液态化质体和作为焦油逸出的蒸汽。多分量 VLE 被制定为基于速率的过程，它为每个物种产生一个常微分方程 (ODE)。为了减少求解许多 ODE 的计算开销，该模型将焦油和化质体种类视为分子量的连续分布。为了提高先前用于热解的连续热力学方法的准确性，提出了矩量直接求积法 (DQMoM) 来求解演化分布，而无需假设任何函数形式。还使用廉价的分块程序来恢复每个离散物种的时间相关摩尔分数和通量。该模型非常适用于煤制化学品过程，以及任何需要一系列焦油种类信息的应用。使用修改后的 CPD 模型作为 VLE 子模型实现的基础，完全离散模型和 DQMoM 之间的一致性非常好，并节省了大量的计算量。以及任何需要一系列焦油种类信息的应用。使用修改后的 CPD 模型作为 VLE 子模型实现的基础，完全离散模型和 DQMoM 之间的一致性非常好，并节省了大量的计算量。以及任何需要一系列焦油种类信息的应用。使用修改后的 CPD 模型作为 VLE 子模型实施的基础，完全离散模型和 DQMoM 之间的一致性非常好，并节省了大量的计算量。