AI-Accelerated Catalyst Selection and Operating Conditions Optimization for Hydrocracking

Hydrocracking is a critical refining technology for upgrading heavy oils, where catalyst selection and operating condition adjustment are crucial for enhancing catalytic performance and product quality. Currently, this matching process relies heavily on the experimental method, which is time-consuming and resource-intensive. Data-driven methods provide a solution for this problem. However, the application of data-driven methods demands specialized data science expertise. This work utilized GPT-4 as an AI assistant to facilitate the development and interpretation of data-driven models for hydrocracking catalysis, establishing the relationship between catalyst properties, feedstock characteristics, operating conditions, and hydrocracking tail oil properties. Gradient-weighted class activation mapping was employed to identify key factors influencing the properties of tail oil. Based on the model’s prediction, the impacts of replacing catalysts and adjusting operating conditions on tail oil properties were explored. The framework in this study is expected to reduce experimental iterations by 60%, highlighting the potential of AI in optimizing hydrocracking processes and offering valuable insights for industrial applications.

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Publication Details

Journal
Smart Chemical Engineering
Published
2025-10-24
DOI
https://doi.org/10.53941/sce.2025.100004
Primary Topic
Catalysis and Hydrodesulfurization Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

AI-Accelerated Catalyst Selection and Operating Conditions Optimization for Hydrocracking

Cheng Lian, Chong Peng, Xiangchen Fang, Siying Liu et al.
Smart Chemical Engineering
Catalysis and Hydrodesulfurization Studies
article

AI-Accelerated Catalyst Selection and Operating Conditions Optimization for Hydrocracking

Cheng Lian, Chong Peng, Xiangchen Fang, Siying Liu, Honglai Liu, Zheyuan Pang
article en

Abstract

Hydrocracking is a critical refining technology for upgrading heavy oils, where catalyst selection and operating condition adjustment are crucial for enhancing catalytic performance and product quality. Currently, this matching process relies heavily on the experimental method, which is time-consuming and resource-intensive. Data-driven methods provide a solution for this problem. However, the application of data-driven methods demands specialized data science expertise. This work utilized GPT-4 as an AI assistant to facilitate the development and interpretation of data-driven models for hydrocracking catalysis, establishing the relationship between catalyst properties, feedstock characteristics, operating conditions, and hydrocracking tail oil properties. Gradient-weighted class activation mapping was employed to identify key factors influencing the properties of tail oil. Based on the model’s prediction, the impacts of replacing catalysts and adjusting operating conditions on tail oil properties were explored. The framework in this study is expected to reduce experimental iterations by 60%, highlighting the potential of AI in optimizing hydrocracking processes and offering valuable insights for industrial applications.

Smart Chemical EngineeringVol. 1(1)
Sinopec (China) (CN), East China University of Science and Technology (CN), Dalian University of Technology (CN), Dalian University (CN), State Key Laboratory of Chemical Engineering (CN)
National Natural Science Foundation of China, Natural Science Foundation of Liaoning Province, National Key Research and Development Program of China, Fundamental Research Funds for the Central Universities
Openalex Percentile: Top 66%
Catalysis and Hydrodesulfurization Studies
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AI-Accelerated Catalyst Selection and Operating Conditions Optimization for Hydrocracking — Cheng Lian, Chong Peng, et al. · Smart Chemical Engineering (2025) | TGRS Research Map | TGRS