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We explore the effects of composition and temperature on the apparent molarvolumes of species of water-methanol mixtures. Isothermal-isobaric moleculardynamics simulations are used with this purpose. Several combinations of modelsfor water and for methanol are explored. Validity of predictions concerned witha puzzling minimum of apparent molar volume of methanol in water-rich solutionsis tested against experimental results.

On the apparent molar volume of methanol in water-methanol mixtures. Composition and temperature effects from molecular dynamics study