在量子化学对SiH与HF反应计算的基础上,运用统计热力学和Wigner校正的Eyring过渡态理论计算了该反应在200～2000K温度范围内的热力学函数、平衡常数、频率因子A和速率常数随温度的变化。计算结果表明该反应在低温下具有热力学优势,而在高温下具有动力学优势。该反应在研究的温度范围内是一放热、熵减少的反应,反应的速率常数随温度的升高而增大,且服从Arrhenius定律。 Based on the calculation of the reaction between SiH and HF by quantum chemistry, the thermodynamic function of the reaction in the temperature range of 200 ~ 2000K was calculated by Eyring transition state theory of statistical thermodynamics and Wigner correction. The equilibrium constant, frequency factor A and rate constant were calculated with the temperature The change. The calculated results show that the reaction has the thermodynamic advantage at low temperature and the kinetic advantage at high temperature. The reaction is an exothermic and entropic reduction reaction at the studied temperature range. The reaction rate constant increases with increasing temperature and follows the Arrhenius law.