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Progress in Chemistry 2002, Vol. 14 Issue (06): 409-   Next Articles

• Review •

Recent Progress in Supercritical Water Theoretical Research

Chen Jinyang;Zheng Haifei;Zeng Yishan**   

  1. Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guanzhou 510640, China; Department of Geology, Peking University, Beijing 100871, China
  • Received: Revised: Online: Published:
  • Contact: Zeng Yishan
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Simulative computation, Raman spectroscopy, NMR and diffraction are the important methods to study the static structures of supercritical water. The results show that the hydrogen bond of supercritical water near critical region is only 29% of that of ambient condition. Microwave spectrum, NMR and quasielastic incoherent neutron scattering methods are adopted to study the dynamics of supercritical water. The results indicate that the time of rearrangement decreases greatly near critical region, which account for the increase of reaction rate in supercritical water. This is the basis for study of the mechanism of reaction rate in supercritical water. The microwave spectrum method is not appropriate for supercritical water at high temperature and low density conditons because the period of microwave is longer than the period of rearrangement. The experimental and simulative studies of mechanism and dynamics of hydrogen bond in supercritical water are the main research areas in the near future.
Key words: supercritical water, hydrogen bond, structure, molecule rearrangement

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