English, Article edition: SIMULATION OF MINIMUM ICE UNIT AND ITS EFFECT ON WATER PROPERTIES CHANGSHENG PENG; SHAOXIAN SONG

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Bookmark: http://trove.nla.gov.au/version/84488
Physical Description
  • article
Language
  • English

Edition details

Title
  • SIMULATION OF MINIMUM ICE UNIT AND ITS EFFECT ON WATER PROPERTIES
Author
  • CHANGSHENG PENG
  • SHAOXIAN SONG
Physical Description
  • article
Notes
  • The formation of a minimum ice unit (MIU) and ice crystal is simulated. The simulation indicates that an MIU is made up of 10 H2O molecules, and the MIU shows a four-hexagon cage structure. On the basis of simulation, we can calculate that 1 mol ice crystal contains 2 mol hydrogen bonds, and 16.67% hydrogen bonds should be broken during water fusion at 0°C. A total of 12.5% hydrogen bonds should be broken when 1 mol water is heated from 0°C to 100°C, and 70.83% hydrogen bonds should be broken when 1 mol water is vaporized into steam at 100°C. A total of 8.33% volume contract during water fusion at 0°C can also be calculated according to the MIU simulation in this paper.
  • Minimum ice unit (MIU), simulation, hydrogen bonds, H2O molecules, water properties
  • RePEc:wsi:srlxxx:v:15:y:2008:i:06:p:841-846
Language
  • English
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