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本文利用偶合振子假设,导出了表面反应速率常数公式,并得出以下结论:在反应物顿率与催化活性集团频率相同的条件下,催化活性和选择性最佳。由反应速率常数公式得出k_吸=k_ae~(βln(1-θ)/RT),k_脱=k_de~(-rln(1-θ)/RT)此公式可导出ТеМКИН等温方程,并得出1/(1-θ)=KP~(1/n),取对数值得-ln(1-θ)=1/nlnP+lnK,所得公式与Freundlich等温方程相似,进而解释Freundlich等温方程lnθ=1/nlnP+lnK偏离线性的原因,此公式取近似值即为ТеМКИН方程。此理论还成功地解释了CO吸附在Pf表面上,Pt-Pt距离减少了0.12A°的实验数据。
In this paper, we derive the surface reaction rate constant formula using the coupling oscillator assumption and conclude that the catalytic activity and selectivity are the best when the reactant rate is the same as the catalytically active group frequency. From the reaction rate constant formula, k_sor = k_ae ~ (βln (1-θ) / RT), k_off = k_de ~ (-rln (1-θ) / RT) This formula leads to the ТеМКИН isothermal equation We get 1 / (1-θ) = KP ~ (1 / n), take the logarithmic value of -ln (1-θ) = 1 / nlnP + lnK, the formula is similar to the Freundlich isotherm equation, and then explain the Freundlich isothermal equation lnθ = 1 / nlnP + lnK deviate from the linear reason, this formula to approximate is the ТеМКИН equation. This theory has also successfully explained the experimental data that CO adsorbed on the Pf surface and the Pt-Pt distance was reduced by 0.12A °.