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Catalytic performance and mechanism study of the isomerization of 2,5-dichlorotoluene to 2,4-dichlorotoluene.
Ma, Jiang-Tao; Meng, Teng-Fei; Chen, Zi-Yun; Zhu, Yu-Jun; Lian, Cheng; Wang, Peng; Liu, Ding-Hua; Zhao, Yu-Pei.
Afiliação
  • Ma JT; State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University Nanjing 210009 China.
  • Meng TF; School of Petrochemical Engineering, Changzhou University Changzhou 213164 China.
  • Chen ZY; School of Petrochemical Engineering, Changzhou University Changzhou 213164 China.
  • Zhu YJ; School of Petrochemical Engineering, Changzhou University Changzhou 213164 China.
  • Lian C; Department of Pharmaceutical and Biomedical Engineering, Clinical College of Anhui Medical University Hefei 230031 China.
  • Wang P; School of Chemistry and Molecular Engineering, East China University of Science and Technology Shanghai 200237 China.
  • Liu DH; School of Petrochemical Engineering, Changzhou University Changzhou 213164 China.
  • Zhao YP; State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University Nanjing 210009 China.
RSC Adv ; 14(13): 8709-8717, 2024 Mar 14.
Article em En | MEDLINE | ID: mdl-38495976
ABSTRACT
This work investigates the influence of catalyst HZSM-5 on the isomerization of 2,5-dichlorotoluene (2,5-DCT) to produce 2,4-dichlorotoluene (2,4-DCT). We observe that hydrothermal treatment leads to a decrease in total acidity and Brønsted/Lewis ratio of HZSM-5 while generating new secondary pores. These characteristics result in excellent selectivity for post-hydrothermal modified HZSM-5 in the isomerization reaction from 2,5-DCT to 2,4-DCT. Under atmospheric pressure at 350 °C, unmodified HZSM-5 achieves a selectivity of 66.4% for producing 2,4-DCT, however after hydrothermal modification the selectivity increases to 78.7%. Density Functional Theory (DFT) calculations explore the thermodynamic aspects of adsorption between the HZSM-5 surface and 2,4-DCT. The kinetic perspective investigates the mechanism involving proton attack on the methyl group of 2,5-DCT followed by rearrangement leading to formation of 2,4-DCT during isomerization. The consistency between simulation and experimental results provides evidence for the feasibility of isomerizing 2,5-DCT to 2,4-DCT. This work fills the gap in the low value-added product 2,5-DCT isomer conversion, indicating its significant practical application potential and provides a valuable reference and guidelines for industrial research in this field.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: RSC Adv Ano de publicação: 2024 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: RSC Adv Ano de publicação: 2024 Tipo de documento: Article