摘要
本文采用基于量子力学的理论方法计算获得了Si–B–C–N–H–Cl体系CVD过程中所有气相产物的热力学数据,包括分子在298.15 K^2000 K的标准摩尔热容,标准摩尔熵、标准摩尔生成焓和标准摩尔生成吉布斯自由能等,为含Si–B–C–N–H–Cl元素的任意先驱体体系反应热力学研究提供了基础数据。
The thermodynamic data of the gas-phase in the chemical vapor deposition of the Si-B-C-N-H-CI system include the heat capacities, entropies, enthalpies of formation and Gibbs free energies of formation ware calculated with the reliable theoretical method of quantum mechanics combined with standard statistical thermodynamics. This work provides more fundamental data for analyzing the thermochemistry of the CVD process of the Si-B-C-N-H-CI system and its subsystems.
出处
《现代技术陶瓷》
CAS
2016年第4期280-289,共10页
Advanced Ceramics
基金
国家自然科学基金(50572089
50642039)
