摘要
合适的溶剂不仅可为催化过程提供安全、绿色的反应环境,还能够有效提升催化性能、调控产物分布并延长催化剂寿命。近年来,随着原位表征技术与模拟计算工具的快速发展,描述催化反应的动力学过程、理解溶剂分子的作用机制已成为研究热点。在分子层次上,溶剂可以通过调控反应物吸附量、活化自由能及质子-电子转移过程等方式影响催化反应速率,通过调控反应物吸附构型及反应能垒等方式影响产物选择性,并通过与催化剂间强相互作用及化学反应等方式影响催化剂稳定性。在基础研究方面,制备单分散且结构稳定的高效催化剂、提升表征技术的时空分辨率及联用兼容性、开发人工智能辅助的大数据模拟计算模型将成为未来本领域的主要发展趋势。与此同时,对溶剂效应不断加深的认识也将为推动传统工业催化向高效节能、本质安全、绿色环保方向转型提供重要助力。
Appropriate solvents can not only provide a safe and green environment for catalytic reactions,but also effectively improve the catalytic performance,regulate the product distribution and prolong the catalyst lifetime.Recently,along with the rapid development of in situ characterization technologies and simulation tools,describing the kinetics of catalytic reactions and understanding the mechanisms of solvent molecules have become a heated topic.At the molecular level,solvents can tune the catalytic reaction rate via regulating the reactant adsorption,activation free energy and proton-electron transfer process,tune the product selectivity via regulating the reactant adsorption configuration and reaction energy barrier,and tune the catalyst stability via the strong interactions and chemical reactions with catalysts.The trend of fundamental research in this field will focus on preparing uniform,stable and high-performance catalysts,improving spatiotemporal resolution and compatibility of characterization technologies,and developing artificial intelligence-assisted theoretical models.Meanwhile,the deepening understanding of solvent effect will also make a great push to promote the transformation of traditional industrial catalysis towards energy-efficient,inherently safe and environmentally-friendly processes.
作者
徐聪
徐洋
张齐
鲁树亮
Xu Cong;Xu Yang;Zhang Qi;Lu Shuliang(Sinopec Beijing Research Institute of Chemical Industry,Beijing 100013)
出处
《中外能源》
2025年第6期67-75,共9页
Sino-Global Energy
基金
中国石油化工集团公司资助项目“辛烯醛选择加氢制辛醛催化剂及工艺研究”(编号:G6001-23-ZS-0417)。
关键词
选择加氢
溶剂效应
竞争吸附
氢交换路径
活化自由能
selective hydrogenation
solvent effect
competitive adsorption
hydrogen-exchange pathway
activation free energy
