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A Molecular Kinetic Model incorporating Catalyst Acidity for Hydrocarbon Catalytic Cracking
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  • Zhengyu Chen,
  • Wenjin Lyu,
  • Ruipu Wang,
  • Yuming Li,
  • Chunming Xu,
  • Guiyuan Jiang,
  • Linzhou Zhang
Zhengyu Chen
China University of Petroleum Beijing

Corresponding Author:zychen_cup@163.com

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Wenjin Lyu
China University of Petroleum Beijing
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Ruipu Wang
China University of Petroleum Beijing
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Yuming Li
China University of Petroleum Beijing
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Chunming Xu
China University of Petroleum Beijing
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Guiyuan Jiang
China University of Petroleum Beijing
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Linzhou Zhang
China University of Petroleum Beijing
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Abstract

We built a molecular-level kinetic model for hydrocarbon catalytic cracking, incorporating the catalyst acidity as the parameter to estimate the reaction rates. The n-decane and 1-hexene co-conversion catalytic cracking process was chosen as the studying case. The reaction network was automatically generated with a computer-aided algorithm. A modified linear free energy relationship was proposed to estimate the activation energy in a complex reaction system. The kinetic parameters were initially regressed from the experimental data under various reaction conditions. On this basis, the product composition was evaluated for three catalytic cracking catalysts with different Si/Al. The Bronsted acid and Lewis acid as the key catalyst properties were correlated with the kinetic parameters. The built model can calculate the product distribution, and molecular composition at different reaction conditions for different catalysts. The sensitive study shows that it will facilitate the model-based optimization of catalysts and reaction conditions according to product demands.
29 Oct 2022Submitted to AIChE Journal
30 Oct 2022Submission Checks Completed
30 Oct 2022Assigned to Editor
30 Oct 2022Review(s) Completed, Editorial Evaluation Pending
05 Nov 2022Reviewer(s) Assigned
06 Dec 2022Editorial Decision: Revise Minor
30 Dec 20221st Revision Received
02 Jan 2023Submission Checks Completed
02 Jan 2023Assigned to Editor
02 Jan 2023Review(s) Completed, Editorial Evaluation Pending
11 Jan 2023Editorial Decision: Accept