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The structure and stability of ternary systems prepared with polysorbate 60and various combinations of cetyl (C16) and stearyl (C18) alcohols (fattyalcohol 16g, polysorbate 4g, water 180g) were examined as they aged over 3months at 25oC. Rheological results showed that the consistency of thesesystems increased initially during roughly the first week of aging, which wassucceeded by little changes in consistency (systems containing from 30% to 70%C18, with the 50% C18 system showing the highest consistencies in viscosity andelasticity) or significant breakdown of structure (remaining systems). Theformation and/or disintegration of all ternary systems were also detected bymicroscopy and differential scanning calorimetry experiments. This studyemphasizes the fact that the structure and consistency of ternary systems aredominantly controlled by the swelling capacity of the lamellar$\alpha-$crystalline gel phase. When the conversion of this gel phase intonon-swollen $\beta$- or $\gamma$-crystals occurs, systems change fromsemisolids to fluids. Molecular dynamics simulations were performed to provideimportant details on the molecular mechanism of our ternary systems.Computational results supported the hypothesis experimentally proposed for thestability of the mixed system being due to an increase in the flexibility,hence an increase in the configurational entropy of the chain tip of thealcohol with a longer hydrocarbon chain (with the highest flexibility observedin the 50:50 C18:C16 system). This finding is in excellent agreement withexperimental conclusions. Additionally, simulation data show that in the mixedsystem, the alcohol with shorter hydrocarbon chain becomes more rigid. Thesemolecular details could not be available in experimental measurements

colloid and polymer science/colloid and polymer science

Influence of fatty alcohol mixing ratios on the physicochemical  properties of Stearyl--Cetyl Alcohol--Polysorbate 60--Water ternary System:  Insights from Experiments and Computer Simulations