Dynamics of Alkane Oxidation Reactions on Vanadyl Pyrophosphate Based Catalysts

小行星9322829 这项工作的目的是建立烷烃在钒磷氧化物（VPO）催化剂（也称为焦磷酸氧钒催化剂）上氧化的动态模型，该模型解释了催化系统的组成部分（例如VPO晶格、VPO表面、表面附着物）如何反应。和气相物种相互作用，产生有选择性或无选择性的产物。 该模型将包括碳-氢键活化和氧加成的机制，氧运输的机制，以及吸附物种在决定选择性中的作用。 为此，VPO催化烷烃部分氧化的动力学研究使用瞬态响应和原位光谱技术相结合。 TAP（产物的时间分析）反应器被特别修改以允许同时进行产物分析和原位红外或拉曼光谱。 低碳烷烃向含氧化合物（醇、醚、醛、酯等）的选择性转化对石化和能源行业具有极大的兴趣。 含氧化合物是生产大量化学品、聚合物和塑料的中间体，并且作为汽油添加剂也有很大的需求，以提高辛烷值并减少尾气污染物。 它们通常使用VPO催化剂，通常由烯烃原料生产。 然而，如果能够改进烷烃（石蜡）的部分氧化技术，则烷烃（石蜡）是更便宜的原料。 ***

9322829 Gleaves The objective of this work is a dynamic model of alkane oxidation over vanadium-phosphorus-oxide (VPO) catalysts (also called vanadyl pyrophosphate catalysts) that explains how such components of the catalytic system as the VPO lattice, the VPO surface, surface adspecies, and gas-phase species interact to give products with or without selectivity. The model would include the mechanism of carbon-hydrogen bond activation and of oxygen addition, the mechanism of oxygen transport, and the roles of adspecies in determining selectivity. To this end, the dynamics of the partial oxidation of alkanes catalyzed by VPO are studied using a combination of transient response and in situ spectroscopic techniques. A TAP (temporal analysis of products) reactor is specially modified to permit simultaneous product analysis and in situ infrared or Raman spectroscopy. The selective conversion of light alkanes to oxygenates (alcohols, ethers, aldehydes, esters, etc.) is of great interest to the petrochemical and energy industries. Oxygenates are intermediates for production of a large array of chemicals, polymers, and plastics, and are also in great demand as gasoline additives, both to improve octane rating and to reduce tailpipe pollutants. They are often produced using VPO catalysts, usually from an olefin feedstock. However, alkanes (paraffins) are a cheaper raw material if the technology for their partial oxidation could be improved. ***