材料工程Issue(10)：102-112,11.DOI:10.11868/j.issn.1001-4381.2015.10.016
先驱体制备典型陶瓷（C，SiC 和 Bx C）的化学反应机理研究
Chemical Reaction Mechanism of Typical Ceramics (C,SiC and Bx C)Produced from Their Precursors
摘要
Abstract
The chemical reaction mechanism of preparing typical ceramics (C,SiC and Bx C)was stud-ied,using C3 H6 (propylene)+H2 ,MTS+H2 +Ar,CH4 +BCl3 +H2 ,and C3 H6 (propylene)+BCl3 +H2 as precursors,and based on the quantum mechanics combined with statistical thermodynamics,var-iational 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 intermedi-ates and transition states,to develop their thermochemistry data,to examine the reaction thermody-namics 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 sci-entifically instructive to the composition control and processing optimization for layered carbon,anti-oxidation SiC and self-healing Bx C.Problems concerning the theoretical methods are also proposed to be further studied.关键词
先驱体/陶瓷/化学反应机理Key words
precusor/ceramic/chemical reaction mechanism分类
通用工业技术引用本文复制引用
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 Bx C）的化学反应机理研究[J].材料工程,2015,(10):102-112,11.基金项目
国家自然科学基金资助项目（50572089，50802076）；国家重点基础研究发展计划（973计划） （）
