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Rh_(1)-ZSM-5分子筛催化乙烷选择性氧化反应的理论研究
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作者 郝聪 吴安安 +1 位作者 谭凯 吕鑫 《厦门大学学报(自然科学版)》 CAS CSCD 北大核心 2022年第1期13-17,共5页
采用密度泛函理论(DFT)对单核铑负载的沸石催化剂(Rh_(1)-ZSM-5)上铑活性氧(Rh-oxo)物种与CO和H_(2)O的吸附行为及其催化的乙烷氧化反应进行理论研究.结果表明:CO和H_(2)O可共吸附在Rh-oxo物种形成四配位铑配合物Rh(O)(CO)(H_(2)O);与Rh... 采用密度泛函理论(DFT)对单核铑负载的沸石催化剂(Rh_(1)-ZSM-5)上铑活性氧(Rh-oxo)物种与CO和H_(2)O的吸附行为及其催化的乙烷氧化反应进行理论研究.结果表明:CO和H_(2)O可共吸附在Rh-oxo物种形成四配位铑配合物Rh(O)(CO)(H_(2)O);与Rh-oxo物种催化甲烷氧化不同,在乙烷的选择性氧化反应中,羰基化产物丙酸的生成在热力学和动力学上均是不利的,反应产物是以乙醇为主的C_(2)氧化产物. 展开更多
关键词 Rh_(1)-ZSM-5 过渡金属活性氧物种 乙烷选择性氧化 密度泛函理论
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Effect of Preparation Method on the Physicochemical Properties of MoVNbTe Catalyst for Propane Ammoxidation to Acrylonitrile
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作者 Ramli Anita Othman Mohd Azizi Jamil Farinaa 《Journal of Chemistry and Chemical Engineering》 2010年第6期29-34,共6页
MoVNbTe catalyst has been found to be the most active and selective catalyst in the ammoxidation of propane to ACN, the selective oxidation of propane to acrylic acid and in the oxidative dehydrogenation of ethane to ... MoVNbTe catalyst has been found to be the most active and selective catalyst in the ammoxidation of propane to ACN, the selective oxidation of propane to acrylic acid and in the oxidative dehydrogenation of ethane to ethylene. However, in our previous work, when 0.5 mL of MoVNbTe catalyst prepared using slurry method was tested in the propane ammoxidation to ACN, it only shows 1% conversion of propane with about 55% selectivity to CAN, thus giving only 0.6% yields to ACN. The poor catalyst activity is attributed to insufficient formation of crystalline phases essential for the propane activation process. In an attempt to improve the physicochemical properties of this catalyst, several preparation methods have been used, namely hydrothermal, reflux, changing the solvent and changing the calcinations temperature. The modified catalysts have been characterized using X-Ray Diffraction (XRD) and N2 physisorption (BET). The MoVNbTe catalyst prepared by hydrothermal method shows a remarkable improvement in the formation of crystalline phases. 展开更多
关键词 MoVNbTe catalyst propane ammoxidation ACRYLONITRILE hydrothermal method crystalline phase.
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Ceria in halogen chemistry
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作者 Matthias Scharfe Guido Zichittella +1 位作者 Vladimir Paunovic Javier Pérez-Ramírez 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2020年第6期915-927,共13页
Halogen chemistry constitutes an essential part in the industrial production of polymers and gains increasing attention as an attractive strategy to activate light alkanes that constitute natural gas. CeO2-based catal... Halogen chemistry constitutes an essential part in the industrial production of polymers and gains increasing attention as an attractive strategy to activate light alkanes that constitute natural gas. CeO2-based catalysts offer an exciting potential for advances in hydrogen halide recovery that enables a high efficiency of halogen-based processes for activation of small molecules. This review provides an overview of recently developed ceria-based catalysts in the context of polymer industry(polyvinyl chloride, polyurethanes, and polycarbonates) and activation of light hydrocarbons for natural gas upgrading. In addition, mechanistic insight and the challenges of ceria catalysts are provided, aiding the design of future catalytic materials and applications. 展开更多
关键词 CEO2 Hydrogen halides ETHYLENE ALKANES Selective natural gas upgrading Oxidation Oxyhalogenation Vinyl chloride
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