Abstract
Computer simulations have been used extensively to study liquid mixtures, especially mixtures of polar liquids, and have been able to provide a wealth information on these systems. Mixtures of molecular liquids, where one of the components is water, have naturally received a great deal of attention in these studies. This Chapter reviews the results of simulations carried out on water-methanol mixtures with flexible vibrating molecular models. The structure of mixtures will be discussed on the basis of various pair correlation and autocorrelation functions. The results of simulations will be compared with diffraction data. Information on several excess properties and associates will be evaluated in some detail. A special attention will be given to the concept of network formation both in methanol, in water and in their mixtures.
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© 1994 Springer Science+Business Media Dordrecht
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Pálinkás, G., Heinzinger, K. (1994). Simulation of Liquid Mixtures. In: Bellissent-Funel, MC., Dore, J.C. (eds) Hydrogen Bond Networks. NATO ASI Series, vol 435. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-8332-9_28
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DOI: https://doi.org/10.1007/978-94-015-8332-9_28
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