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Open AccessArticle

Thermal Cracking Furnace Optimal Modeling Based on Enriched Kumar Model by Free-Radical Reactions

by Peng Mu 1,2 and Xiangbai Gu 1,2,3,*
1
College of Information Science & Technology, Beijing University of Chemical Technology, Beijing 100029, China
2
Engineering Research Center of Intelligent PSE, Ministry of Education of China, Beijing 100029, China
3
Sinopec Engineering (Group) Co., Ltd., Beijing 100029, China
*
Author to whom correspondence should be addressed.
Processes 2020, 8(1), 91; https://doi.org/10.3390/pr8010091 (registering DOI)
Received: 26 November 2019 / Revised: 29 December 2019 / Accepted: 7 January 2020 / Published: 9 January 2020
(This article belongs to the Section Computational Methods)
The Kumar model as a molecular model has achieved successful application. However, only 22 reactions limit its veracity and adaptability for feedstocks. A series of models with different degrees of integration of the free radical model and the molecular model has been proposed to enhance feedstock adaptability and simulation accuracy. An improved search engine algorithm, namely Improved PageRank (IPR), is provided and applied to calculate the importance of substances in Kumar model to screen the free-radical reaction network for efficient model selection. A methodology of optimal structure and model parameters chosen is applied to the target to improve the adaptability of the material and the accuracy of the model. Then, two cases with different feedstocks are demonstrated with industrial data to verify the correctness of the proposed approach and its wide feedstock adaptability. The proposed model demonstrates good performance: (1) The mean relative errors (MRE) of the K-R (Kumar and free-radical) model have reached an order of magnitude less than 0.1% compared with 5% in the Kumar model. Further, (2) the K-R model can be implemented to model some feedstocks which Kumar model can’t simulate successfully. The K-R model can be applied in simulation of extensive feedstocks with high accuracy. View Full-Text
Keywords: reaction network enrichment; K-R model; improved pagerank algorithm (IPR); model-fitting; kinetics reaction network enrichment; K-R model; improved pagerank algorithm (IPR); model-fitting; kinetics
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Mu, P.; Gu, X. Thermal Cracking Furnace Optimal Modeling Based on Enriched Kumar Model by Free-Radical Reactions. Processes 2020, 8, 91.

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