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首页> 外文会议>Pacific Basin Conference on Adsorption Science and Technology; 20070522-26; Tianjing(CN) >CONTROLLING SELECTIVITY VIA MOLECULAR ASSEMBLING IN CONFINED SPACES: ALKANES - ALKENES - AROMATICS IN FAU ZEOLITES
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CONTROLLING SELECTIVITY VIA MOLECULAR ASSEMBLING IN CONFINED SPACES: ALKANES - ALKENES - AROMATICS IN FAU ZEOLITES

机译：通过有限空间中的分子组装控制选择性：分子筛中的链烷烃-烯烃-芳烃

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摘要

Liquid phase adsorption of alkane/alkene/aromatic mixtures in FAU supercages is governed by a combination of enthalpic and entropic effects. Large energetic interactions between specific molecular moieties (e.g. double bond or aromatic ring) and adsorption sites, lead to a preferential adsorption of aromatics compared to alkenes and alkanes.Entropic packing effects on the other hand are shown to be able to clearly outweigh normal tendencies for selectivity based on adsorbate properties (e.g. # C-atoms) and structural properties (e.g. aluminium contents) observed at low coverage. For the first time, it was shown that even in adsorbents or catalysts with relatively large pores, molecular selectivity is achieved at high degree of pore occupancy as a result of the assembly of molecules inside such pores. These selectivity effects, which are not acting at low degree of pore filling, depend in a subtle way on molecular size and shape,functional groups, pore size and geometry (e.g. spherical cage versus tubular pore),cation number and type, presence of solvents and so on. This concept of packing induced selectivity offers perspectives for new separation and catalytic processes.
机译：FAU超级笼中烷烃/烯烃/芳烃混合物的液相吸附取决于焓和熵的影响。特定分子部分（例如双键或芳环）与吸附位点之间的高能相互作用，导致芳烃与烯烃和烷烃相比优先吸附。另一方面，熵填效应显示出可以明显地超过烯烃的正常趋势。选择性基于低覆盖率下观察到的吸附物性质（例如C原子）和结构性质（例如铝含量）。首次表明，即使在具有较大孔的吸附剂或催化剂中，由于分子在这些孔中的聚集，在高孔占有率下也可获得分子选择性。这些选择性效应（不是在低程度的孔填充中起作用）以微妙的方式取决于分子的大小和形状，官能团，孔径和几何形状（例如球形笼相对于管状孔），阳离子数量和类型，溶剂的存在等等。堆积诱导选择性的概念为新的分离和催化过程提供了前景。

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