Solvatación preferencial de 4-hidroxi-2,5-dimetil-3(2H)- furanona (HDMF) en mezclas etanol + agua de acuerdo a los métodos IKBI y QLQC

Jaime Andrés Lasso Pineda; Diego Ivan Caviedes; Daniel Ricardo Delgado

doi:10.25054/22161325.715

Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods

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Lasso Pineda, J. A., Caviedes, D. I., & Delgado, D. R. (2015). Preferential solvation of 4-hydroxy-2,5-dimethyl-3(2H)- furanone (DMHF) in ethanol + water mixtures according to IKBI and QLQC methods. Ingeniería Y Región, 13(1), 139–147. https://doi.org/10.25054/22161325.715

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Published: Sep 9, 2015

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https://doi.org/10.25054/22161325.715

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Vol. 13 (2015)

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Jaime Andrés Lasso Pineda Universidad Cooperativa de Colombia

Diego Ivan Caviedes Universidad Cooperativa de Colombia

Daniel Ricardo Delgado Universidad Cooperativa de Colombia Sede Neiva

Abstract

The parameters of preferential solvation of 4-hydroxy-2.5-dimetyl-3 (2H)-furanone (HDMF) in ethanol (EtOH) were derived from its thermodynamic properties of solution by means of inverse Kirkwood-Buff integrals and quasi-lattice-quasi-chemical (QLQC) methods. According to the IKBI method, the preferential solvation parameter δx1,3 of EtOH is negative in water-rich mixtures but positive in ethanol-rich mixtures. It is possible that the hydrophobic hydration around the methyl groups of the HDMF plays a role in the solvation in water-rich mixtures. The greatest EtOH solvation in ethanol-rich mixtures may have been due, mainly, to the effects of polarity and acid-base behavior of the hydroxyl groups in the compound against the most basic solvents in the solution. On the other hand, using the QLQC method, this compound is preferably solvated by the cosolvent in most of the water-ethanol system mixtures.

Keywords

HDMF

ethanol

preferential solvation

inverse Kirkwood-Buff integrals

quasi-lattice-quasichemical

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Jaime Andrés Lasso Pineda, Universidad Cooperativa de Colombia

Estudiante de Ingeniería Industrial. Grupo de investigación en administración de operaciones y producción, Universidad
Cooperativa de Colombia Sede Neiva. Calle 11 No. 1 G-31 B

Diego Ivan Caviedes, Universidad Cooperativa de Colombia

Licenciado en Biología y Química, Esp. Ingeniería Ambiental, M.Sc. en Ecología y Gestion de Ecosistemas Estratégicos
Universidad Surcolombiana, Grupo de investigación en administración de operaciones y producción, Profesor
T.C. Universidad Cooperativa de Colombia Sede Neiva. Calle 11 No. 1 G-31 B.

Daniel Ricardo Delgado, Universidad Cooperativa de Colombia Sede Neiva

Licenciado en Biología y Química Universidad Surcolombiana, M.Sc en Ciencias Químicas, PhD en Ciencias Farmacéuticas, Universidad Nacional de Colombia Sede Bogotá, Grupo de investigación en administración de operaciones y producción, Profesor T.C. Universidad Cooperativa de Colombia Sede Neiva. Calle 11 No. 1 G-31 B.

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