Effect of the alkyl chain length on the non-ideality and the microstructure of alcohol binary mixtures

In this study the microstructure of alcohol binary mixtures (toluene and cyclohexane) is investigated from molecular dynamics simulations. case cyclohexane mixtures, we show that strong deviation ideality result formation nanophases molecules gathered in aggregates hydrogen bonds leading to spatial heterogeneity. Nanophases disappear as alkyl chain size increases because hydrophobic interactions counteracts ones. The short are found uncorrelated at long range correlations which related an absence prepeak low Q total structure factor. From toluene similar trends observed with a lesser extend given favorable π-OH interactions.