Solvatación preferencial de 4-hidroxi-2,5-dimetil-3(2H)- furanona (HDMF) en mezclas etanol + agua de acuerdo a los métodos IKBI y QLQC
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Los parámetros de solvatación preferencial por etanol (EtOH) de 4-hidroxi-2,5-dimetil-3 (2H) -furanona (HDMF) fueron derivados de sus propiedades termodinámicas de solución por medio de los métodos de las integrales inversas de Kirkwood-Buff y cuasi-reticular -cuasi-químico (QLQC). Según el método IKBI, el parámetro de solvatación preferencial δx1,3 del EtOH es negativo en mezclas ricas en agua pero positivo en mezclas de ricas en etanol. Posiblemente la hidratación hidrofóbica alrededor de los grupos metilo de la HDMF juega un papel relevante en la solvatación en mezclas ricas en agua. La mayor solvatación por parte del EtOH en mezclas ricas en etanol pude ser debido principalmente a los efectos de polaridad y comportamiento ácido de los grupos hidroxilo del compuesto frente a los disolventes más básicos presentes en las mezclas. De otro lado, según el método QLQC, este compuesto es solvatado preferentemente por el cosolvente en la mayoría de las mezclas de sistema de agua etanol.
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