Influence of fatty alcohol mixing ratios on physicochemical properties of stearyl–cetyl–polysorbate 60–water ternary system: Insights from experiments and computer simulations

• Published in: Colloid and polymer science Vol. 299; no. 12; pp. 1885 - 1900
• Main Authors: Hoang, Vu Dang, Cong, Cao Phuong, Tran, Hung Huu, Nguyen, Hue Minh Thi, Nguyen, Toan T.
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01-12-2021; Springer Nature B.V
• Subjects: Characterization and Evaluation of Materials; Chemistry; Chemistry and Materials Science; Complex Fluids and Microfluidics; Consistency; Disintegration; Food Science; Hydrocarbons; Lamellar gels; Mixing ratio; Molecular chains; Molecular dynamics; Nanotechnology and Microengineering; Original Contribution; Physical Chemistry; Polymer Sciences; Rheological properties; Soft and Granular Matter; Structural stability; Ternary systems; Polysorbate 60; Microscopy; Rheology; DSC; Ternary systems; Molecular dynamics; Fatty alcohols
• ISSN: 0303-402X; 1435-1536
• DOI: 10.1007/s00396-021-04874-x

The structure and stability of ternary systems prepared with polysorbate 60 and various combinations of cetyl (C16) and stearyl (C18) alcohols were examined as they aged over 3 months at
25
∘
C
. Rheological results showed that the consistency of these systems increased initially during roughly the first week of aging, which was succeeded by little changes in consistency (systems containing from 30% to 70% C18, with the 50% C18 system showing the highest consistencies) or significant breakdown of structure (remaining systems). The formation and/or disintegration of all ternary systems were also detected by microscopy and differential scanning calorimetry experiments. This study emphasizes the fact that the structure and consistency of ternary systems are dominantly controlled by the swelling capacity of the lamellar gel phase. Molecular dynamics simulations were performed to provide details on the molecular mechanism of stability. Computational results support the hypothesis experimentally proposed for the stability of the mixed system being due to an increased flexibility of the alcohol with a longer hydrocarbon chain. Computational results are in excellent agreement with experimental conclusions. Additionally, they show that in the mixed system, alcohols with shorter hydrocarbon chain become more rigid. These molecular details could not be available in experimental measurements.