催化反应在化学工业中占着首要地位,但迄今适用于某一反应的催化剂,还都是靠经验方法来选择的。因此,科学地选择催化剂的问题是化学科学中迫待解决的问题之一。为了解决这个问题,首先要能科学地阐明催化剂的活性。影响催化剂活性的因素很多,但可概括为几何的(晶格常数、晶体结构、反应分子在催化剂上的定位、表面积及活化中心等)和能量的(活化能、键能等)二类,许多催化理论只强调了其中某一因素的作 Catalytic reactions dominate the chemical industry, but so far catalysts for a particular reaction have also been chosen empirically. Therefore, the problem of scientifically selecting a catalyst is one of the problems to be solved in chemistry. In order to solve this problem, we must first scientifically elucidate the activity of the catalyst. There are many factors affecting the activity of the catalyst, but it can be generalized to the following two categories: geometric (lattice constant, crystal structure, positioning of the reaction molecule on the catalyst, surface area and activation center) and energy (activation energy, bond energy, etc.) Catalytic theory only emphasizes one of the factors