biocl催化剂的丙烷氧化脱氢催化性能及其理论分析word格式论文.docxVIP

as homogeneous precipitation agent for preparation the mesoporous NiO by template method, better to dispersion for the propane and propene, decrease the deep oxidation of the propene and then improve the selectivity to propene.The BiOCl catalysts supported on p-type semiconductor NiO, n-type semiconductor CeO2 and insulator Al2O3, obtain the supported catalysts. The results showed that, the BiOCl catalyst directly precipitation on the different carrier prepared by above method, better to dispersion of BiOCl activity component, showed good performance of the oxidation catalytic dehydrogenation of propane. The catalytic performances was increased after BiOCl supported on the carrier, during what the catalysts supported on p-type semiconductor NiO, showed the best propane conversion and propene selectivity.The calculation band gap energy of the BiOCl (2×2) super cell was 2.58eV. BiOCl crystal faced by (001)-BiO have a lowest energy and the catalysts was the most stable among the four crystal surface (001)-BiO, (001)-Cl, (110)-BiCl, (110)-O, (010) and (101)with six faces for the BiOCl catalysts. The best adsorption method of the propane on the BiOCl surface was that the catalysts was faced by BiO and horizontal connection of the propane with catalysts by end carbon C1 with bridge Bi by O-Bi-O, showed the most stable structure and the lowest adsorption energy.KEY WORDS: Oxidative Dehydrogenation, Semiconductor, BiOCl, Theory Study目 录1.文献综述......................................................................................................... 11.1 丙烯在现代化学工业当中的应用及分布情况...................................... 11.2 丙烷氧化脱氢制丙烯概述....................................................................... 11.2.1 丙烷氧化脱氢制丙烯反应的热力学.................................................21.2.2 丙烷氧化脱氢制丙烯反应的动力学.................................................31.3 丙烷氧化脱氢制丙烯催化剂体系...........................................................41.3.1 目前常用催化剂...................................................