Algaba Fernández, JesúsMíguez, José ManuelGómez Álvarez, PaulaMejías Borrero, Andrés ManuelJiménez Blas, FelipeGómez Álvarez, Paula2026-01-222026-01-222020Algaba, J., Mı́guez, J. M., Gómez-Álvarez, P., Mejı́a, A., & Blas, F. J. (2020). Preferential Orientations and Anomalous Interfacial Tensions in Aqueous Solutions of Alcohols. The Journal of Physical Chemistry B, 124(38), 8388–8401. https://doi.org/10.1021/acs.jpcb.0c054121520-61061520-5207 (electrónico)https://hdl.handle.net/10272/27747Literature studies on interfacial tension versus temperature between normal alcohols and water show that it increases with temperature and exhibits a maximum value at a given temperature depending on the molecular weight of the alcohol. This very unusual behavior is supposedly accompanied by the formation of monolayers of alcohol molecules oriented preferentially at the interface, a structural issue not confirmed until now. We use molecular-based models for water and alcohols in combination with molecular dynamics simulations to provide physical insights, from a molecular perspective, into the structural and thermodynamic behavior at the liquid–liquid interfaces of aqueous solutions of alcohols.engAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Molecular dynamics simulationWaterAlcoholsLiquid-liquid interfacesSurface tensionHydrogen bondingjournal article10.1021/acs.jpcb.0c05412open access2210 Química Física23 Química