Abstract
Monte Carlo and molecular dynamics methods as applied to the study of water at interfaces are briefly reviewed and the results obtained so far are discussed. Structural quantities, considered include the 0-0 distribution function, the distribution of dipole orientations, and the “layering” of the water structure brought about by the interface. The effect of the interface on hydrogen-bond formation is also examined. The time-dependent behaviour of these systems is considered in terms of the self-diffusion coefficients and dipolar relaxation times of the water molecules. Throughout, comparison is made between water near to the interface and bulk (or uniform) water.
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© 1986 D. Reidel Publishing Company, Dordrecht, Holland
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Parsonage, N.G. (1986). Structure, Thermodynamics and Kinetics of Water at Interfaces. In: Silva, A.F. (eds) Trends in Interfacial Electrochemistry. NATO ASI Series, vol 179. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4694-1_13
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DOI: https://doi.org/10.1007/978-94-009-4694-1_13
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