文献类型：期刊文献

英文题名：Thermodynamics insights into the hydrocracking reactions of tetralin into light aromatics

作者：Peng, Yichun[1];Zhang, Xiangxue[1];Zhong, Yuxia[1];Chen, Wenyao[1];Yuan, Weikang[1];Ma, Yuchun[2];Zhou, Xinggui[1];Duan, Xuezhi[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn & Low Carbon Technol, Shanghai 200237, Peoples R China;[2]SINOPEC Shanghai Res Inst Petrochem Technol, State Key Lab Green Chem Engn & Ind Catalysis, Shanghai 201208, Peoples R China

年份：2026

卷号：320

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20253419009160);WOS:【SCI-EXPANDED(收录号:WOS:001554194700001)】；

基金：This work was financially supported by the National Key R&D Program of China (2022YFA1503503), the Natural Science Foundation of China (22478107, 22038003, 22178100, 22178101, and U22B20141), the Shanghai Pilot Program for Basic Research (22TQ1400100-15), the Shanghai Rising-Star Program (24QA2701900), the Innovation Program of Shanghai Municipal Education Commission, the Shanghai Science and Technology Innovation Action Plan (22JC1403800).

语种：英文

外文关键词：Ethylene tar; Tetralin hydrocracking; BTX; Thermodynamic analysis

摘要：Ethylene tar, a by-product of ethylene production, is predominantly composed of heavy aromatic hydrocarbons (HAHs), such as naphthalene and its derivatives, which exhibit low energy efficiency and limited utilization value. In this study, tetralin is employed as a representative model compound to investigate the hydrogenationcracking behavior of ethylene tar, aiming to convert it into high value-added light aromatics as a sustainable alternative to conventional low-value fuel applications. A comprehensive reaction network for tetralin hydrocracking is systematically constructed, and the thermodynamic feasibility of its conversion to BTX (benzene, toluene, and xylenes) is rigorously evaluated through detailed analysis of reaction enthalpy, entropy, and Gibbs free energy. Using Aspen Plus (v9.0), equilibrium simulations are performed to identify viable reaction pathways and optimal product distributions, providing critical insights into the temperature-dependent behavior of the system. The results highlight the dominant role of temperature in governing BTX selectivity, with an optimal value around 800 K. Simulated trends in BTX selectivity within 573 K-633 K showed strong agreement with experimental results, verifying the instructive value of thermodynamic analysis and simulation experiments in guiding practical reactions. Overall, this work establishes a robust theoretical and practical foundation for the high-efficiency and sustainable upgrading of ethylene tar, offering a promising strategy to significantly enhance its economic value and environmental performance.