提高催化重整反应选择性的反应路径设计与研究

基于分子模拟对正庚烷脱氢环化过程中的决速步骤反应能垒进行理论分析，提出降低决速步骤反应能垒的可行途径，设计出通过增强双分子氢负离子转移反应提高重整反应选择性的反应路径。根据此反应思路，制备了含硼硅分子筛的催化剂，考察了不同模型化合物的催化重整反应性能。结果表明，与含硼硅β分子筛的催化剂和氧化铝重整催化剂单独使用相比，将2种催化剂机械混合后使用可以获得更高的芳烃产率和更低的气体产率。以1-己烯、环己烷和正庚烷为模型化合物的催化重整反应验证了混合催化剂具有更高氢转移活性。该新反应路径对半再生重整和连续再生重整催化剂均具有适用性。

Designing and Study on the Reaction Routes to ImproveSelectivity of Catalytic Reforming

A feasible reaction path was proposed to decrease theactivation energy barrier of the rate-limiting step bymolecular simulations for dehydrocyclization of heptane, and a reaction routethrough bimolecularhydride transfer to improve the selectivity of catalyticreforming reaction was designed accordingly. Subsequently, catalysts containingborosilicateβzeolitewere prepared to investigate catalysis reforming performance by different modelcompounds. The results show that borosilicate β zeoliteand alumina mixtures have higher aromatics yield and lower gas yield than theindividuals. Taken n-heptane,1-hexeneand cyclohexane as the model compounds, the results show that catalyst mixtureshas higher hydride transfer reactivity. The proposed new reaction route isavailable for both semi-regenerativereforming catalyst and continuous regeneration catalyst.