Structural properties of liquid acetone |
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| Authors: | Yu. G. Bushuev S. V. Davletbaeva |
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| Affiliation: | (1) Ivanovo State University of Chemistry and Technology, 7 prosp. F. Engel'sa, 153460 Ivanovo, Russian Federation;(2) Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153045 Ivanovo, Russian Federation |
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| Abstract: | Monte Carlo simulation of liquid acetone was carried out. The effect of electrostatic and van der Waals interactions on the regularities of mutual arrangement of the molecules was studied. Spatial structure of liquid acetone is determined by the molecular shape, repulsive intermolecular interactions, and steric factors and is close to the structure of a random closely packed system of soft spheres. Electrostatic interactions affect only the mutual orientation of the molecules. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 25–34, January, 1999. |
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| Keywords: | organic solvents, acetone, structure of liquid, intermolecular interactions computer simulation of liquids, Monte Carlo method |
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