Volume 4, Issue 4 e318
RESEARCH ARTICLE
Open Access

Aromatic compounds-mediated synthesis of anatase-free hierarchical TS-1 zeolite: Exploring design strategies via machine learning and enhanced catalytic performance

Chang'an Wang

Chang'an Wang

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Guoqing An

Guoqing An

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Jing Lin

Jing Lin

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Xiaowei Zhang

Corresponding Author

Xiaowei Zhang

Institute of Advanced Materials, Beijing Normal University, Beijing, P. R. China

Correspondence

Xiaowei Zhang, Institute of Advanced Materials, Beijing Normal University, Beijing 100875, P. R. China.

Email: [email protected]

Hongyi Gao and Ge Wang, Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule & Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, P. R. China.

Email: [email protected] and [email protected]

Xingtian Shu, Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China.

Email: [email protected]

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Zhiyuan Liu

Zhiyuan Liu

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Yibin Luo

Yibin Luo

Research Institute of Petroleum Processing, SINOPEC, Beijing, P. R. China

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Siqi Liu

Siqi Liu

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Zhixiang Cheng

Zhixiang Cheng

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Tingting Guo

Tingting Guo

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

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Hongyi Gao

Corresponding Author

Hongyi Gao

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

SINOPEC Changling Branch Company, Yueyang, P. R. China

Correspondence

Xiaowei Zhang, Institute of Advanced Materials, Beijing Normal University, Beijing 100875, P. R. China.

Email: [email protected]

Hongyi Gao and Ge Wang, Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule & Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, P. R. China.

Email: [email protected] and [email protected]

Xingtian Shu, Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China.

Email: [email protected]

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Ge Wang

Corresponding Author

Ge Wang

Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule and Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, P. R. China

Shunde Graduate School, University of Science and Technology Beijing, Shunde, P. R. China

Correspondence

Xiaowei Zhang, Institute of Advanced Materials, Beijing Normal University, Beijing 100875, P. R. China.

Email: [email protected]

Hongyi Gao and Ge Wang, Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule & Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, P. R. China.

Email: [email protected] and [email protected]

Xingtian Shu, Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China.

Email: [email protected]

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Xingtian Shu

Corresponding Author

Xingtian Shu

Research Institute of Petroleum Processing, SINOPEC, Beijing, P. R. China

Correspondence

Xiaowei Zhang, Institute of Advanced Materials, Beijing Normal University, Beijing 100875, P. R. China.

Email: [email protected]

Hongyi Gao and Ge Wang, Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule & Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, P. R. China.

Email: [email protected] and [email protected]

Xingtian Shu, Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China.

Email: [email protected]

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First published: 28 January 2023
Citations: 3

Chang'an Wang, Guoqing An and Jing Lin contributed equally to this work.

Abstract

Simultaneous achievement of constructing mesopores and eliminating anatase is a long-term pursuit for enhancing the catalytic performance of TS-1. Here, we developed an aromatic compounds-mediated synthesis method to prepare anatase-free and hierarchical TS-1 for olefin epoxidation. A series of hierarchical TS-1 zeolites were prepared by introducing aromatic compounds containing different functional groups via the crystallization process. The formation of intercrystalline mesopores and insertion of titanium into framework were facilitated at different extent. The synergistic coordination of carboxyl and hydroxyl in aromatic compounds with Ti(OH)4 realizes the uniform distribution of titanium species and eliminates the generation of anatase. Noteworthily, eight machine learning models were trained to reveal the mechanism of additive functional groups and preparation conditions on anatase formation and microstructure optimization. The prediction accuracy of most models can reach more than 80%. Benefiting from the larger mesopore volumes (0.37 cm3·g−1) and higher content of framework Ti species, TS-DHBDC-48h samples exhibit a higher catalytic performance than other zeolites, giving 1-hexene conversion of 49.3% and 1,2-epoxyhenane selectivity of 99.9%. The paper provides a facile aromatic compounds-mediated synthesis strategy and promotes the application of machine learning toward the design and optimization of new zeolites.

CONFLICT OF INTEREST

The authors declare no competing financial interest.

DATA AVAILABILITY STATEMENT

The data that support the findings of this study are available from the corresponding author upon reasonable request.

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