1 The Key Laboratory of Space Applied Physics and Chemistry (Ministry of Education), Northwestern Polytechnical University, Xi'an 710129, China 2 Science and Technology on Thermostructural Composite Materials Laboratory, Northwestern Polytechnical University, Xi'an 710072, China
The chemical reaction mechanism of preparing typical ceramics (C,SiC and BxC) was studied,using C3H6(propylene)+H2, MTS+H2+Ar, CH4+BCl3+H2, and C3H6(propylene)+BCl3+H2 as precursors,and based on the quantum mechanics combined with statistical thermodynamics, variational transition state theory and chemical reaction kinetics. The thermochemistry data are predicted in a prescript high accuracy. The process is to determine as many as possible the reaction intermediates and transition states, to develop their thermochemistry data, to examine the reaction thermodynamics properties of the reaction system, to identify the possible reaction pathways, to evaluate the rate constants of the most favorable paths, and to explore the reaction rates. These researches are scientifically instructive to the composition control and processing optimization for layered carbon, anti-oxidation SiC and self-healing BxC. Problems concerning the theoretical methods are also proposed to be further studied.
张瑾, 苏克和, 马咏梅, 曾庆丰, 成来飞, 张立同. 先驱体制备典型陶瓷(C,SiC和BxC)的化学反应机理研究[J]. 材料工程, 2015, 43(10): 102-112.
Jin ZHANG, Ke-he SU, Yong-mei MA, Qing-feng CENG, Lai-fei CHENG, Li-tong ZHANG. Chemical Reaction Mechanism of Typical Ceramics (C, SiC and BxC) Produced from Their Precursors. Journal of Materials Engineering, 2015, 43(10): 102-112.
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2015, Vol. 43 
), 马咏梅1, 曾庆丰2, 成来飞2, 张立同2
