过渡态理论对Arrhenius公式的诠释 --以硝酸异丙酯与自由基反应为例.

In the teaching of university-level physical chemistry, the Arrhenius formula elucidates the relationship between the rate constant of a reaction, temperature, and activation energy. However, it is difficult for students to understand and master the formula simply from its expression. Taking the reaction of isopropyl nitrate with Cl atoms, OH and NO3 radicals as examples, the rate constants of the reactions at different temperatures were calculated based on the potential energy surface by the Transition State Theory. The change trends of rate constants with temperature for the reactions with different energy barriers have been visually analyzed. We hope to help students understand Arrhenius formula in essence by analyzing specific cases, so as to broaden their knowledge and cultivate their scientific inquiry ability. [ABSTRACT FROM AUTHOR]