Core-softened water–alcohol mixtures: the solute-size effects

In a recent work [\textit{J. Mol. Liq}, 2020, \textbf{320}, 114420], using molecular dynamics simulations and core-softened potential approach, we have shown that adding simple solute as methanol can "kill" the density anomalous behavior LLCP is suppressed by spontaneous crystallization in hexagonal closed packing (HCP) crystal near LLPT. Now, extend this order to realize how longer-chain alcohols will affect complex of water-alcohol mixtures supercooled regime. Besides (CS) methanol, ethanol 1-propanol were added system identical particles interact through continuous shouldered well (CSW) potential. We observed anomaly gradually decreases its extension phase diagrams until disappearing with growth non-polar chain alcohol concentration, differently from liquid-liquid transition (and LLCP), which remained present all analyzed mixtures, according \textit{Nature}, 2001, \textbf{409}, 692. For our model, longer chains higher concentrations impact competition between scales CS potential, leading gradual anomalies TMD total disappearance when first coordination shell structure also affected: short-range ordering favored, less short- long-range and, consequently, extinction anomalies. Also, size concentration an effect on solid phases, favoring packed amorphous over body-centered cubic (BCC) crystal.