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dreamlyz金蟲 (初入文壇)
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[求助]
【緊急求助】關(guān)于TOF的計算
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各位高手，小弟最近在分析反應(yīng)數(shù)據(jù)計算TOF時有些迷惑，查了不同的文獻， 計算方法有些差異，不知道是我的理解錯誤還是什么問題，真誠求教各位！ 1、有的TOF為：單位時間單位質(zhì)量的金屬催化劑轉(zhuǎn)換的分子數(shù)除以金屬表面原子數(shù) 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/S002195170200043X TOF 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、有的計算為：單位時間內(nèi)轉(zhuǎn)化的反應(yīng)物分子數(shù)除以金屬表面原子數(shù) 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 應(yīng)該以哪種方法為準(zhǔn)呢？ 比較著急，希望大家多多指教啊~~  [ Last edited by dreamlyz on 2011-6-28 at 16:10 ] |
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