Abstract
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.
Highlights
Ethylene is an important olefinic hydrocarbon in the petrochemical industry, while pyrolysis is the major available industrial process exists for the production of olefins yet some research has been performed on catalytic cracking for the production of such materials [1–7]
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
Co-pyrolysis is a phenomenon whereby different feedstocks are cracked together, and the product yield will be different compared to when they are cracked respectively. This is usually explained by the theory of banishing of free radicals which can’t be describe by molecular model
Summary
Ethylene is an important olefinic hydrocarbon in the petrochemical industry, while pyrolysis is the major available industrial process exists for the production of olefins yet some research has been performed on catalytic cracking for the production of such materials [1–7]. Detailed models and parameters have been developed for free radical pyrolysis kinetics of hydrocarbons with a single component [33] Such models are limited to the poor calculation ability of computers, and their application in the decomposition of petroleum-based feedstocks has been under restriction [34]. Co-pyrolysis is a phenomenon whereby different feedstocks are cracked together, and the product yield will be different compared to when they are cracked respectively This is usually explained by the theory of banishing of free radicals which can’t be describe by molecular model. This is a widely used algorithm in analyzing complex network [47,48] Secondly, the parameters of the model are optimized to accommodate different feedstock and to increase the accuracy of modeling.
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