【摘要】 化学气相沉积（CVD）法制备SiC的CH₃SiCl₃（MTS）-H₂体系反应机理尚不明确。本文综合热力学计算、流体动力学模拟与实验验证，实现了从热力学平衡预测到流体动力学的动态建模的协同分析，系统揭示了工艺参数对SiC沉积过程的影响规律。研究发现，低温下出现的富硅现象与CH₄的低反应活性及氯硅烷的优先吸附有关；随着沉积温度的升高，SiCl₂等含硅气相组分浓度显著增加，而不饱和烃C₂H₂成为高温阶段的主要碳源，最终在1400℃制备出近化学计量比的SiC涂层。值得注意的是，单纯热力学计算结果与实验存在偏差，而耦合流体动力学模拟后一致性显著提升。该研究方法既弥补了热力学计算的局限性，又为精确调控CVD工艺参数、优化SiC成分提供了可靠的理论依据和技术支撑。更多还原

【Abstract】 The mechanism of SiC preparation via chemical vapor deposition（CVD） of the CH₃ SiCl₃（MTS）-H₂ system remains unclear. This article integrates thermodynamic calculations, fluid dynamics simulations, and experimental validations to enable a synergistic analysis from thermodynamic equilibrium predictions to fluid dynamics-based dynamic modeling. The results systematically reveal the effects of process parameters on the SiC deposition procedure. It was found that the silicon-rich phenomenon observed at low temperatures is related to the low reactivity of CH₄ and the preferential adsorption of chlorosilanes. With increasing deposition temperature, the concentration of silicon-containing molecular species such as SiCl₂ rises, while unsaturated hydrocarbons like C₂H₂ become the dominant carbon sources at high temperature, ultimately producing nearly stoichiometric SiC coatings at 1400 ℃. Notably, thermodynamic calculation results alone exhibited deviations from experimental results, whereas coupling with fluid dynamics simulations, consistency was improved significantly. This research method not only compensates limitations inherent in thermodynamic calculations but also provides reliable theoretical basis and technical support for precise control of CVD parameters and optimization of SiC chemical composition.更多还原