SiC合成反应的散射分布

Scattering Distribution for the Syntheses Reaction of SiC

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 paper has studied the scattering distribution of SiC and the microcosmic reaction principle of reaction C(~3P_g)+SiO(X^1Σ^+)→SiC(X^1Σ^+)+O(~3P_g) using the classical trajectory method. It has showed that the forward scattering percentages of the products for the two state-to-state reactions of synthetic SiC for SiO(X^1Σ^+)in v=0,j=0 and v=1,j=0 have both decreased with the increases of the initial relative collision translation energies E_t,while the backward scattering percentages have increased gradually. Most of the products SiC scatter forward when E_t≤4.6024×10~3 kJ·mol^(-1)(SiO in v=0,j=0)or E_t≤4.1840×10~3 kJ·mol^(-1) (SiO in v=1,j=0).Otherwise they scatter backward mostly.