Local Structure and Work of Formation of Water Clusters Studied by Molecular Dynamics Simulations (original) (raw)

1996, Journal of Colloid and Interface Science

Here d is the distance between the equimolecular dividing Small clusters composed of 64, 94, 125, 190, 256, and 512 water surface with the radius R e and the surface of tension with molecules have been studied by molecular dynamics simulations radius R s , i.e., d Å R e 0 R s and, to be precise, R stands using the ST2 water model. Radial profiles of the local density, either for R e or R s . By assuming d to be a constant and energy, electric potential, and components of the pressure tensor integrating Eq. [1], Tolman (loc.cit.) obtained the depenwere calculated. The work of formation was derived for the differdence of g on R in the limit of large R ent cluster sizes on the basis of the normal pressure tensor component P N and was related to the curvature-dependent surface tension of the clusters. Our calculations show that the surface tension

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Local Structure and Work of Formation of Water Clusters Studied by Molecular Dynamics Simulations (original) (raw)

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