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用催化动态法考察了乙烷、氧气及乙烯在无载体MoO3-V2O5催化剂上的吸脱附行为和乙烷氧化脱氢反应中各物种的应答曲线,提出了反应机理,建立了数学模型。结果表明:(1)乙烷和乙烯在催化剂上不吸附,氧在催化剂上为不可逆慢吸附;(2)乙烷与氧形成中间物及中间物分解为乙烯和水的反应均为快步骤,氧气在催化剂上的吸附可能为速率控制步骤;(3)在高温和无氧的条件下,乙烷可与催化剂中的氧(晶格氧)反应生成乙烯;(4)用Treanor法进行数值计算和DFP法进行优化,得到了机理各步速率常数的最优解,计算值与实验值能很好地吻合。
The adsorption and desorption behaviors of ethane, oxygen and ethylene on unsupported MoO3-V2O5 catalysts and the response curves of various species in ethane oxidative dehydrogenation were investigated by catalytic kinetics. The reaction mechanism was proposed and a mathematical model was established. The results show that: (1) ethane and ethylene are not adsorbed on the catalyst, and the oxygen is irreversibly adsorbed slowly on the catalyst; (2) the reaction of ethane and oxygen to form an intermediate and the decomposition of the intermediate into ethylene and water are fast steps, The adsorption of oxygen on the catalyst may be a rate control step; (3) ethane can react with oxygen (lattice oxygen) in the catalyst to produce ethylene under high temperature and anaerobic conditions; (4) the numerical calculation by the Treanor method And DFP method were optimized, and the optimal solution to the rate constants of each step of the mechanism was obtained. The calculated values agree well with the experimental values.