Abstract
Dependences of the total and partial energies in mixed water–methanol clusters on the size of the cluster and its overall composition were considered. Changes in the total and partial local energies in a spherical cluster with an increase of the alcohol molar fraction in the system were investigated. Profiles of the normal component of the pressure tensor were calculated for all systems under investigation, and the work of the formation of mixed cluster from the vapor phase was estimated.
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Brodskaya, E.N. Molecular–Dynamic Simulation of Mixed Water–Methanol Clusters: 3. Local Energy and the Work of Formation. Colloid Journal 63, 15–19 (2001). https://doi.org/10.1023/A:1009477805385
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DOI: https://doi.org/10.1023/A:1009477805385