A coal constituent based kinetic model for direct coal liquefaction

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy Pub Date : 2024-11-12 DOI:10.1016/j.ijhydene.2024.11.017

Xizhuang Qin , Tao Shen , Guanbo Li , Lei Shi , Zhenyu Liu , Qingya Liu

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Abstract

In order to obtain chemically meaningful and extendable kinetics for direct coal liquefaction (DCL) the experimental coal conversion (X_C) and oil yield (Y_O) are correlated with coal constituents and the conditions. The coal is assumed to have three constituents mimicking its maceral constituents liptinite, vitrinite and inertinite. The quantities of them are estimated based on the TG curve of coal, and correlated with the X_C and Y_O by non-linear regression. For Naomaohu (NMH) coal that is dominant with the vitrinite and Shangwan (SW) coal that has similar contents of vitrinite and inertinite, the three-constituent kinetics model is significantly better than that of traditional single-component kinetics model that requires the regression-determined maximum conversion X_C,M and maximum oil yield Y_O,M. The k₁ for the vitrinite-like component a₁ is always much larger than k₂ for the inertinite-like component a_2, and k₁ usually shows a better relationship with 1/T than k₂. The E_a of NMH for X_C and Y_O are close to each other, suggesting a high content of weak bonds in the structure; whereas the E_a of SW for Y_O is significantly larger than that of X_C, suggesting that many oil originates from the secondary reaction rather than the primary covalent bond cleavage.

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基于煤成分的煤直接液化动力学模型

为了获得有化学意义且可扩展的煤直接液化（DCL）动力学，实验中的煤转化率（XC）和产油量（YO）与煤的成分和条件相关联。假定煤有三种成分，分别是模仿其大分子成分的石灰石、玻璃石和惰性石灰石。它们的数量根据煤的 TG 曲线进行估算，并通过非线性回归与 XC 和 YO 相关联。对于以沸石为主的直磨湖（NMH）煤和沸石、惰性石含量相近的上湾（SW）煤，三组分动力学模型明显优于需要回归确定最大转化率 XC,M 和最大产油量 YO,M 的传统单组分动力学模型。类矾石组分 a1 的 k1 总是远大于类惰性组分 a2 的 k2，而且 k1 与 1/T 的关系通常比 k2 更好。XC 和 YO 的 NMH 的 Ea 值相互接近，表明结构中弱键的含量较高；而 YO 的 SW 的 Ea 值明显大于 XC 的，表明许多油源自二次反应而非一次共价键裂解。

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来源期刊

International Journal of Hydrogen Energy 工程技术-环境科学

CiteScore

13.50

自引率

25.00%

发文量

3502

审稿时长

60 days

期刊介绍： The objective of the International Journal of Hydrogen Energy is to facilitate the exchange of new ideas, technological advancements, and research findings in the field of Hydrogen Energy among scientists and engineers worldwide. This journal showcases original research, both analytical and experimental, covering various aspects of Hydrogen Energy. These include production, storage, transmission, utilization, enabling technologies, environmental impact, economic considerations, and global perspectives on hydrogen and its carriers such as NH3, CH4, alcohols, etc. The utilization aspect encompasses various methods such as thermochemical (combustion), photochemical, electrochemical (fuel cells), and nuclear conversion of hydrogen, hydrogen isotopes, and hydrogen carriers into thermal, mechanical, and electrical energies. The applications of these energies can be found in transportation (including aerospace), industrial, commercial, and residential sectors.