4.5 Article

Vacuum residue coking process simulation using molecular-level kinetic model coupled with vapor-liquid phase separation

期刊

CHINESE JOURNAL OF CHEMICAL ENGINEERING
卷 41, 期 -, 页码 301-310

出版社

CHEMICAL INDUSTRY PRESS CO LTD
DOI: 10.1016/j.cjche.2021.10.014

关键词

Kinetic modeling; Molecular engineering; Vapor-liquid equilibrium; Vacuum residue coking

资金

  1. National Natural Science Foundation of China [22021004, U19B2002]

向作者/读者索取更多资源

A molecular-level kinetic model was developed to simulate the VR coking process, and the effect of reaction temperature and reaction time on product yields was investigated. The results showed that optimizing the reaction conditions can achieve the best performance in VR coking.
In this work, a molecular-level kinetic model was built to simulate the vacuum residue (VR) coking process in a semi-batch laboratory-scale reaction kettle. A series of reaction rules for heavy oil coking were summarized and formulated based on the free radical reaction mechanism. Then, a large-scale molecular-level reaction network was automatically generated by applying the reaction rules on the vacuum residue molecules. In order to accurately describe the physical change of each molecule in the reactor, we coupled the molecular-level kinetic model with a vapor-liquid phase separation model. The vapor-liquid phase separation model adopted the Peng-Robinson equation of state to calculate vapor-liquid equilibrium. A separation efficiency coefficient was introduced to represent the mass transfer during the phase separation. We used six sets of experimental data under various reaction conditions to regress the model parameters. The tuned model showed that there was an excellent agreement between the calculated values and experimental data. Moreover, we investigated the effect of reaction temperature and reaction time on the product yields. After a comprehensive evaluation of the reaction temperature and reaction time, the optimal reaction condition for the vacuum residue coking was also obtained. (C) 2021 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co.. Ltd. All rights reserved.

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