Abstract
The kinematic and thermodynamic characteristics of the methanol-heptane system were calculated by the molecular dynamics method at 300 K and heptane concentrations up to 0.095 mole fractions. An increase in the concentration of heptane was shown to stabilize the structure of methanol. The densities of aliphatic alcohol-alkane-electrolyte (nonelectrolyte) systems were measured experimentally at 298.15 K. The results were used to calculate apparent and partial molar volumes with errors of 0.01 cm3/mol. The dependences of volume properties on composition contained extrema in agreement with theoretical calculations.
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Original Russian Text © D.V. Ivlev, A.A. Dyshin, O.V. Eliseeva, M.G. Kiselev, 2009, published in Zhurnal Fizicheskoi Khimii, 2009, Vol. 83, No. 2, pp. 275–279.
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Ivlev, D.V., Dyshin, A.A., Eliseeva, O.V. et al. The volume characteristics and molecular dynamics simulation of nonaqueous solutions of aliphatic alcohols. Russ. J. Phys. Chem. 83, 209–213 (2009). https://doi.org/10.1134/S0036024409020113
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DOI: https://doi.org/10.1134/S0036024409020113