Solvation of nonionic poly(ethylene oxide) surfactant Brij 35 in organic and aqueous-organic solvents

By combining the experimental small- and wide-angle x-ray scattering (SWAXS) method with molecular dynamics simulations theoretical ‘complemented-system approach’ it is possible to obtain detailed information about intra- inter-molecular structure of solvation hydration surfactant in organic mixed solvents, e.g., nonionic Brij 35 (C12E23) alcohols aqueous alcohol-rich ternary systems. This first application complemented-system approach system will promote use this powerful methodology that based on calculated SWAXS data studies colloidal applying high-performance computing systems, such an readily available for domain. experiments MD were performed binary 35/alcohol 35/water/alcohol systems ethanol, n-butanol n-hexanol as solvent component at 25 °C. We confirmed presence solvated monomers studied media, revealed their preferential discussed structural dynamic features levels. Anisotropic effective conformations found. The influence hydrophobicity phenomena molecules was explained.