摘要
要以反应 Ｉ２ ＋ Ｈ２ →２ Ｈ Ｉ 为例， 说明了用模式识别确定化学反应的机理和推求总反应中各基元反应的动力学参数的原理和步骤以有进一步确认反应机理的正确性的方法． 指出了模式识别还可用来研究反应条件改变 （ 如： 光照射， 加催化剂， 温度巨变等） 引起的反应机理的变化。
This article takes this chemical reaction I\-2+H\-2→2HI for example.The principle and procedure of determinating reactionary mechanism and deducing dynamic parameters of elementary reactions contained in general reaction are explained by pattern recognition.Preliminary methods of detecting mechanism correctness is proposed. Pattern recognition is also used to study reactionary mechanism changes when reactionary conditions are changed (eg. Light irradiation, hot huge ateration,catalyst)
出处
《计算机与应用化学》
CAS
CSCD
1999年第5期383-384,共2页
Computers and Applied Chemistry
