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应用配位催化原理,并根据 FT 合成熔铁催化剂的现场激光拉曼光谱研究结果,讨论了 FT 合成铁催化剂活性位的本质和催化作用机理.指出存在于铁催化剂表面上的 Fe~0/Fe-碳化物相和 Fe-氧化物相都是催化剂的活性相;工作状态下催化剂表面上存在着两类活性位,即金属铁原子多核簇活性位和 Fe~0与 Fe~(2+)(Lewis 酸中心)组成的活性位;CO 很可能采取_4(ω_1,η~2,斜插式,在多核 Fe 原子活性位上)或μ_2或3(ω_1,ω_1~′,双端基桥式,在活性位上)的配位活化方式;相应的这两种化学吸附态很可能分别就是 CO 解离或氢解,和非解离加氢的前躯态;存在着两条平行的 CO 加氢主要反应途径,分别以烃类和醇等含氧化合物为其主要产物。
Based on the field laser Raman spectroscopy results of FT synthesis iron melting catalyst, the nature and catalytic mechanism of active sites of FT synthesis iron catalyst are discussed. It is pointed out that Fe ~ 0 / Fe existing on the surface of iron catalyst - Both the carbide phase and the Fe-oxide phase are the active phases of the catalyst. There are two types of active sites on the surface of the catalyst under working conditions, namely, the active sites of multi-nuclear clusters of Fe and Fe ~ 0 and Fe ~ (2 +) ( Lewis acid center), and CO probably takes the form of 4 (ω_1, η_2, diagonal interpolation, active sites of multi-core Fe atoms) or μ_2 or 3 (ω_1, ω_1 ~ , In active sites); the corresponding two chemisorbed states are likely to be CO dissociation or hydrogenolysis, respectively, and a precursor to non-dissociative hydrogenation; there are two parallel CO plus Hydrogen main reaction pathway, respectively, as hydrocarbons and alcohols oxygenated compounds as its main product.