计算模拟在化学热力学、动力学教学实践中的应用——以甲醛解离反应为例

陈广慧, 林旺强, 姜昆

Application of Computational Simulation in the Teaching Practice of Chemical Thermodynamics and Dynamics: Taking Isomerization and Dissociation of Formaldehyde as an Example

Guanghui Chen, Wangqiang Lin, Kun Jiang

表2 反应温度计算结果汇总

t y k2/s−1 T2/K T2/℃ 10 min 0.9 3.84 × 10−3 1176 903 10 min 0.99 7.68 × 10−3 1199 926 1 h 0.9 6.40 × 10−4 1120 847 1 h 0.99 1.28 × 10−3 1141 868 24 h 0.9 2.67 × 10−5 1033 760 24 h 0.99 5.33 × 10−5 1050 777