液態水分子間結構排列的研究,仍是目前進行中的課題。闡述水結構的模型,一般分為兩大類:混合物模型及連續模型。我們介紹分子動力模擬計算,在探討水結構時所採用的作法,並分析近年來從電腦模擬得到的一些結果。
The study in elucidation the structure of liquid water is still an active area of research. The proposed models of liquid water are historically partitioned into two broad categories: (a) mixture models and (b) continuum models. We review the molecular dynamic simulation methods used in analyzing the microscopic configurations in liquid water and present some recent results from simulations.