Abstract
The molecular dynamic method is used to study the physicochemical properties of water clusters containing HCl and HF molecules. These impurity molecules have the ability to undergo hydration in water vapor. In clusters with the same number of water molecules, large dipole moments are induced for HCl, and smaller ones, for HF. The diffusion coefficient of the impurity in the clusters is slightly lower than the analogous characteristic for water molecules and exhibits nonmonotonous behavior with increasing size of the aggregate.
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Galashev, A.E., Pozharskaya, G.I. & Chukanov, V.N. Physicochemical Properties of Water Clusters in the Presence of HCl and HF Molecules. Molecular Dynamic Simulation. Journal of Structural Chemistry 43, 458–466 (2002). https://doi.org/10.1023/A:1020341200494
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DOI: https://doi.org/10.1023/A:1020341200494