• Title/Summary/Keyword: Kirkwood-Buff integration

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Kirkwood-Buff Solution Theory (커크우드-버프 용액 이론)

  • Lim, Kyung-Hee
    • Journal of the Korean Applied Science and Technology
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    • v.27 no.4
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    • pp.452-460
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    • 2010
  • Any theory of liquid should account for interactions between molecules, since molecules in a liquid are close to each other. For this matter statistical-mechanical methodology has been used and various models have been proposed on the basis of this methodology. Among them Kirkwood-Buff solution theory has attracted a lot of interest, because it is regarded as being the most powerful. In this article Kirkwood-Buff solution theory is revisited and its key equations are derived. On the way to these equations, the concepts of pair correlation function, radial distribution function, Kirkwood-Buff integration are explained and implemented. Since complexity of statical mechanics involved in this theory, the equations are applied to one-component systems and the results are compared to those obtained by classical thermodynamics. This may be a simple way for Kirkwood-Buff solution theory to be examined for its validity.