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• W1986046920 abstract "A Metropolis Monte Carlo study of a two-dimensional aqueous solution-like system is carried out by making use of the 2D model of water [J. Chem. Phys. 75, 5864 (1981)]. The water–solute interaction consists of a Lennard-Jones potential and an anisotropic part. This anisotropic interaction has been introduced to stabilize a clathrate hydrate type structure and prevent the tendency for phase separation. The total number of molecules in the systems is always 576 and various static properties are obtained over a wide range of temperature, density and concentration. The Kirkwood–Buff parameters are obtained by the integration of the radial distribution functions. From these parameters, the mean square concentration fluctuation is calculated as a function of temperature, density, and concentration. The mean square concentration fluctuation has a maximum at an intermediate temperature. The free energy is obtained by Widom’s method. The lower critical solution temperature is predicted to be near the point where the concentration fluctuation is maximum. The concentration dependence of the thermodynamic properties at low temperatures is qualitatively in agreement with that of alcohol–water mixtures. The structure of the solution depends strongly on temperature and concentration." @default.
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• W1986046920 date "1984-05-01" @default.
• W1986046920 modified "2023-09-25" @default.
• W1986046920 title "A Monte Carlo study of concentration fluctuations in a 2<i>D</i> aqueous solution" @default.
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• W1986046920 doi "https://doi.org/10.1063/1.447229" @default.
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