Abstract
We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for water and for methanol are explored. Validity of predictions concerned with a puzzling minimum of apparent molar volume of methanol in water-rich solutions is tested against experimental results.
Highlights
We explore the effects of composition and temperature on the apparent molar volumes of species of watermethanol mixtures
The mixing properties of two components, methanol and water, can be expressed in terms of the excess mixing volume, ∆Vmix = Vmix − (1 − Xm)Vw − XmVm, where Vmix, Vw and Vm refer to the molar volumes of liquid solution and its components, Xm denotes the molar fraction of methanol
It is observed that the excess mixing volume is negative in the entire composition interval and exhibits maximum deviation from ideality around equimolar composition, at Xm ≈ 0.5
Summary
We explore the effects of composition and temperature on the apparent molar volumes of species of watermethanol mixtures. The density of water-methanol mixtures in the entire composition interval at normal pressure and various temperatures (e.g. 278.15 K, 288.15 K, 298.15 K, 313.15 K and 323.15 K) has been reported in [2,3,4,5,6]. Peculiar points of the behaviour of properties of water-methanol mixtures along composition axes and at different temperatures are drawn as a logical conclusion from the analyses of light scattering experimental data, see e.g.
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