Netsu Sokutei
Online ISSN : 1884-1899
Print ISSN : 0386-2615
ISSN-L : 0386-2615
What is Expected from the Computer Simulations in the Study of Molecular Liquids and Solutions
Yosuke Kataoka
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1992 Volume 19 Issue 3 Pages 119-128

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Abstract
Computer simulations are reviewed in the study of molecular liquids and solutions. The characteristics in the computer simulations, and what is expected from the computer simulations in the study of the thermal propeties of substances are summarized from the stand point of the experimentalists who want to study the microscopic aspects also. Three examples are described: the calculation of the free energy of liquids/solutions, the derivation of the equation of state of liquid water, and the calculation of the transport properties of liquid water by the computer simulations.
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© Japan Society of Calorimetry and Thermal Analysis
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