A Mo-based catalyst (Mo/CBC) was successfully prepared by a hydrothermal method in which the carbon support was derived from agricultural waste. Physio-chemical properties showed that Mo/CBC had uniformly dispersed particles, large pores, excellent thermal stability and high molybdenum loading. The catalytic performance was systematically investigated, including types of loading metal, oxidants, catalyst usage, substrate concentration, oxidant ratio, reaction temperature, reaction time, reusability, and scalability. Mo/CBC exhibited excellent catalytic performance in the epoxidation of 1-hexene with 98.5% of 1-hexene oxide selectivity, 94.4% of 1-hexene conversion and 99.1% of TBHP consumption efficiency under optimal reaction conditions. The catalytic performance of Mo/CBC did not decrease significantly after five cycles, showing excellent cycle stability. In addition, the scalability showed that Mo/CBC have a good universality for linear olefins, cyclic olefins, aromatic olefins and so on. Thermodynamics showed that the epoxidation system presented as an endothermic and disordered process. Kinetics study showed the rate of the reaction obeyed the pseudo-second-order model with an apparent activation energy of 75.2 kJ/mol. The mechanism study revealed that Mo⁴⁺ species played a key role in the reaction system, promoting the generation of peroxyl radical intermediates from TBHP to directly epoxidize 1-hexene into 1-hexene oxide.

以农业废弃物为碳载体，采用水热法成功制备了钼基催化剂（Mo/CBC）。理化性质表明，Mo/CBC颗粒分散均匀，孔隙大，热稳定性好，载钼量高。系统地研究了催化性能，包括负载金属的类型、氧化剂、催化剂用量、底物浓度、氧化剂比例、反应温度、反应时间、可重复使用性和可扩展性。Mo/CBC在1-己烯环氧化反应中表现出优异的催化性能，在最佳反应条件下，1-己烯氧化物选择性为98.5%，1-己烯转化率为94.4%，TBHP消耗效率为99.1%。五次循环后Mo/CBC的催化性能没有明显下降，表现出优异的循环稳定性。此外，可扩展性表明Mo/CBC对直链烯烃、环烯烃、芳烃等具有良好的普适性。热力学表明，环氧化体系表现为吸热无序过程。动力学研究表明反应速率服从伪二级模型，表观活化能为75.2 kJ/mol。机制研究表明，Mo⁴⁺物种在反应体系中起关键作用，促进TBHP产生过氧自由基中间体，将1-己烯直接环氧化成1-己烯氧化物。