Elsevier

Chemical Physics Letters

Volume 245, Issues 2–3, 27 October 1995, Pages 178-182
Chemical Physics Letters

A novel osmotic pressure route to the activity coefficient of a molecule in a solution

https://doi.org/10.1016/0009-2614(95)00977-CGet rights and content

Abstract

It is proposed that a powerful and convenient method of measuring the activity coefficient of a molecular species in a liquid mixture is to do an osmosis experiment. The only information required is the equation of state of the pure solvent. The procedure has been tested and verified by a modified GEMC simulation. The results are compared with van der Waals one-fluid theory, which is found to be remarkably good.

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    FFs determined by these means have frequently been unable to satisfactorily predict more complex and composition-dependent thermodynamic properties, and thus the composition dependence of solution chemical potentials [44], and the osmotic pressure, [35,24,34,56], Π, have recently been used as alternative approaches to fit FF parameters. Luo et al. [35,34] recently developed a MD simulation method for directly calculating Π without the need for chemical potential calculations, which has similarities to earlier work of Murad et al. [47,48,51,50]. The methodology simulates aqueous solution and pure water phases separated by virtual membrane walls permeable only to water.

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