Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation

doi:10.1016/j.cjche.2014.12.009

Chin.J.Chem.Eng. ›› 2015, Vol. 23 ›› Issue (6): 954-961.DOI: 10.1016/j.cjche.2014.12.009

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Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation

Tong Liu, TiefengWang, Yunlong Huang, Chao Wang, Jinfu Wang

Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

Received:2014-09-10 Revised:2014-12-21 Online:2015-07-09 Published:2015-06-28
Contact: Jinfu Wang

Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation

Tong Liu, TiefengWang, Yunlong Huang, Chao Wang, Jinfu Wang

Beijing Key Laboratory of Green Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

通讯作者: Jinfu Wang

Abstract

Abstract: Methylphenyldichlorosilane (MPDS, CH₃C₆H₅SiCl₂) is an important silicone monomer for the synthesis of highperformance polymethylphenylsiloxane polymers. In this work, the mechanism of the synthesis of MPDS from methyldichlorosilane and chlorobenzene by gas phase condensation was studied, and a kinetic model with 35 species and 58 elementary reactions was established. Experiments were carried out in a tubular reactor under a wide range of reaction conditions. The calculated mole fractions of the reactants and products were in a good agreement with the experimental results. A mechanism of the insertion of chloromethylsilylene into the C\Cl bond of chlorobenzene was proposed, which was proved to be the main pathway of MPDS production. The established kinetic model can be used in design and optimization of the industrial reactor for MPDS synthesis.

Key words: Detailed kinetics, Methylphenyldichlorosilane, Chloromethylsilylene, Gas phase condensation

摘要： Methylphenyldichlorosilane (MPDS, CH₃C₆H₅SiCl₂) is an important silicone monomer for the synthesis of highperformance polymethylphenylsiloxane polymers. In this work, the mechanism of the synthesis of MPDS from methyldichlorosilane and chlorobenzene by gas phase condensation was studied, and a kinetic model with 35 species and 58 elementary reactions was established. Experiments were carried out in a tubular reactor under a wide range of reaction conditions. The calculated mole fractions of the reactants and products were in a good agreement with the experimental results. A mechanism of the insertion of chloromethylsilylene into the C\Cl bond of chlorobenzene was proposed, which was proved to be the main pathway of MPDS production. The established kinetic model can be used in design and optimization of the industrial reactor for MPDS synthesis.

关键词: Detailed kinetics, Methylphenyldichlorosilane, Chloromethylsilylene, Gas phase condensation

Tong Liu, TiefengWang, Yunlong Huang, Chao Wang, Jinfu Wang. Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation[J]. Chin.J.Chem.Eng., 2015, 23(6): 954-961.

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Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation

Detailed kinetics of methylphenyldichlorosilane synthesis from methyldichlorosilane and chlorobenzene by gas phase condensation

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