物理化学学报 >> 2004, Vol. 20 >> Issue (11): 1364-1368.doi: 10.3866/PKU.WHXB20041115

研究论文 上一篇    下一篇

F2＋2HI=2HF＋I2反应机理的研究

韩香云;王遵尧;王连生;杨春生;俞　斌   

  1. 南京工业大学理学院,南京　210009;　南京大学环境学院,南京 　210093;　盐城工学院化工系,盐城　224003
  • 收稿日期:2004-04-16 修回日期:2004-07-15 发布日期:2004-11-15
  • 通讯作者: 王遵尧 E-mail:wangzun315cn@163.com

Kinetics of Synthetic of Cl－ Type Hydrotalcitelike with Coprecipitation Reaction

Han Xiang-Yun;Wang Zun-Yao;Wang Lian-Sheng;Yang Chun-Sheng;Yu Bin   

  1. School of Sciences, Nanjing University of Technology, Nanjing　210009;School of the Environment, Nanjing University, Nanjing　210093;Department of Chemical Engineering, Yancheng Institute of Technology, Yancheng　224003
  • Received:2004-04-16 Revised:2004-07-15 Published:2004-11-15
  • Contact: Wang Zun-Yao E-mail:wangzun315cn@163.com

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摘要： 根据氯离子型层状复合氢氧化物(LDH-Cl)制备过程中溶液浓度变化的监测结果和不同反应进程时产物的EDS、IR、XRD、TEM、TG-DTA表征结果,研究了合成LDH-Cl的共沉淀反应动力学特征及机理.实验结果表明, LDH-Cl的生成符合多核层表面反应动力学模型;反应过程中LDH的晶胞参数c从2.421 nm变为2.399 nm,通道高度h由0.3321 nm减小为0.3228 nm,粒子直径Da由6.40 nm增大为15.16 nm, Dc由7.43 nm增大到10.93 nm,纵横比由0.86增大为1.39; IR和TG-DTA特征变化表明了层板对阴离子作用的强度和层板的结构稳定性随反应进程而提高.

关键词: LDH-Cl, 共沉淀法, 反应进程

Abstract: The gas phase reaction mechanism of F2＋2HI=2HF＋I2 has been investigated by B3LYP and MP2 all at 3-21G** base, and a series of four-centred and three-centred transition states have been obtained. The following result is achieved by comparing the activation energy of six reaction paths, i.e. the activation energies of the bimolecular elementary reactions F2＋HI→HF＋IF and IF＋HI→I2＋HF are less than the dissociation energy of F2, HI and IF. It is thus theoretically proved that the title reaction occurs more easily in the bimolecular form with two medium steps.

Key words: Fluorine, Hydrogen iodide, B3LYP, MP2, Transition state, Reaction mechanism, Bimolicular reaction