A zeroth order random network model of liquid water

作者: Mark G. Sceats , M. Stavola , Stuart A. Rice

DOI: 10.1063/1.437945

关键词:

摘要: A random network model is used to generate the oxygen–oxygen pair correlation function of liquid water and amorphous solid water. The basically an extension bent hydrogen bond proposed by Pople in 1951; it differs from earlier work that instead being a parametric fit data, predicts dispersion OO distances for each shell neighbors, OOO angles, independent spectroscopic data. Our based on hypothesis there exists separation time scales various classes molecular motion In particular we assert useful regard libration hindered translation as occurring quasistatic bonded molecules diffusion related relaxation processes much more slowly. predicted good but not perfect agreement with experiment over wide temperature range. As further test predict dielectr...

参考文章(26)
Stuart A. Rice, Conjectures on the structure of amorphous solid and liquid water. Topics in Current Chemistry. pp. 109- 200 ,(1975) , 10.1007/BFB0045207
G. J. Wilson, R. K. Chan, D. W. Davidson, E. Whalley, Dielectric Properties of Ices II, III, V, and VI The Journal of Chemical Physics. ,vol. 43, pp. 2384- 2391 ,(1965) , 10.1063/1.1697137
O. Matsuoka, E. Clementi, M. Yoshimine, CI study of the water dimer potential surface Journal of Chemical Physics. ,vol. 64, pp. 1351- 1361 ,(1976) , 10.1063/1.432402
Frank H. Stillinger, Aneesur Rahman, Improved simulation of liquid water by molecular dynamics The Journal of Chemical Physics. ,vol. 60, pp. 1545- 1557 ,(1974) , 10.1063/1.1681229
James R. Scherer, Man K. Go, Saima Kint, Raman spectra and structure of water from -10 to 90.deg. The Journal of Physical Chemistry. ,vol. 78, pp. 1304- 1313 ,(1974) , 10.1021/J100606A013
R. J. Speedy, C. A. Angell, Isothermal compressibility of supercooled water and evidence for a thermodynamic singularity at −45°C Journal of Chemical Physics. ,vol. 65, pp. 851- 858 ,(1976) , 10.1063/1.433153
I. R. Mcdonald, J.‐P. Hansen, Douglas Henderson, Theory of simple liquids ,(1976)
Theodore T. Wall, Donald F. Hornig, Raman Intensities of HDO and Structure in Liquid Water The Journal of Chemical Physics. ,vol. 43, pp. 2079- 2087 ,(1965) , 10.1063/1.1697078
P. Boutron, R. Alben, Structural model for amorphous solid water Journal of Chemical Physics. ,vol. 62, pp. 4848- 4853 ,(1975) , 10.1063/1.430395