关于TOF的计算？各位高手，小弟最近在分析反应数据计算TOF时有些迷惑，查了不同的文献，计算方法有些差异，不知道是我的理解错误还是什么问题，真诚求教各位！1、有的TOF为：单位时间单位质量的金属 催化剂 转换的分子数除以金属表面原子数The TOF was calculated from TOF=rAc/nOF. Therewith, rAc is the total amount of acrolein converted per weight of gold per second, and nOF the amount of gold at the surface. The latter is calculated from nOF=ntotal*D, where ntotal is the total amount of gold and D the degree of dispersion (i.e., the surface-to-volume ratio), estimated by TEM.http://www.sciencedirect.com/sci ... i/S002195170200043XTOF was calculated from TOF=rAC/n*D: γ is the total moles of CO converted per gram of Pd per second; n is the total moles of Pd at the surface; D is the cluster dispersion assuming sphere clusters. D was obtained from Ref. [18] based on calculated total number of atoms in each cluster. The size of clusters was measured from TEM and we assumed spherical shape to calculate total number atoms in each cluster from diameter of the spheres. http://www.springerlink.com/content/p6gn02v77814m268/2、有的计算为：单位时间内转化的反应物分子数除以金属表面原子数The turnover frequency (TOF), number of molecules of CO converted per surface atom of gold particles and per second, was calculated for the two series of catalysts with the assumption that gold particles were cubo-octahedra. This hypothesis is supported by HRTEM observation (see next section). The dispersion D was calculated by the formula D=Ns/Nt, where Ns represents the number of surface atoms and Nt the total number atoms in the particle.http://www.sciencedirect.com/sci ... i/S0021951703004482应该以哪种方法为准呢？比较着急，希望大家多多指教啊~~查看更多4个回答 . 13人已关注
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