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用轨线法对C(3Pg)+SiO(X1Σ+,v=0、1,j=0)→SiC(X1Σ+)+O(3Pg)反应进行了计算,研究了两种状态下产物SiC的散射分布和微观反应机理.随初始相对碰撞平动能Et增加,产物SiC向前散射减弱,向后散射增强.对振动基态SiO(X1Σ+,v=0,j=0),Et≤4.6024×103kJ·mol-1,产物以向前散射为主;Et>4.6024×103kJ·mol-1,产物以向后散射为主.对振动激发态SiO(X1Σ+,v=1,j=0),Et≤4.1840×103kJ·mol-1,产物以向前散射为主;Et>4.1840×103kJ·mol-1,产物以向后散射为主.
The reaction of C (3Pg) + SiO (X1Σ +, v = 0,1, j = 0) → SiC (X1Σ +) + O (3Pg) was calculated by using the trajectory method. Scattering distribution and microscopic reaction mechanism.With the increase of the translational energy Et of the initial relative collision, the forward scattering of the SiC decreases and the backscattering increases.For the vibrational ground state SiO (X1Σ +, v = 0, j = 0), Et≤4.6024 × 103kJ The products are dominated by forward scattering and Et> 4.6024 × 103kJ · mol-1, and the products are dominated by backscattering. The vibration excited states of SiO (X1Σ +, v = 1, j = 0), Et ≤4.1840 × 103kJ · mol-1, the product is mainly forward scattering; Et> 4.1840 × 103kJ · mol-1, the product is mainly backscattering.