A model for water sorption isotherms and hydration forces in sugar surfactants.

HYPOTHESIS

Hydration forces between surfactant bilayers can be assessed using water sorption isotherms of surfactants. For a quantitative description, a water sorption model that relates water activity to water content in surfactant-based systems should be proposed.

THEORY AND SIMULATIONS

A water sorption model for nonionic surfactant systems based on the idea on partial solvent accessibility is proposed. The model contains only two parameters: one describes the strength of interactions, the other describes the fraction of surfactant available for water. For comparison, molecular dynamics simulations of bilayers of n-octyl β-d-glucoside with different water contents are presented.

FINDINGS

The model provides an excellent fit of experimental data on water sorption isotherms of two sugar surfactants. The results of the fitting are compared with molecular dynamics simulations and show a good correlation between simulations and the theory proposed. Analysis of interaction energies shows weakly endothermic hydration both in the simulations and in the sorption model, which agrees with calorimetric data on hydration. The model also shows a non-exponential decay of hydration forces with respect to the distance between bilayers; an expression for the decay length is derived.

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