Thermodynamic behavior of the binaries 1-butilpryridinium tetrafluoroborate with water and alkanols: their interpretation using 1H-NMR spectroscopy and quantum-chemistry calculationsReportar como inadecuado




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Materias : 3303 ingeniería y tecnología químicas

Fecha de publicación : 2011

Fecha de depósito: 21-oct-2015

???metadata.dc.project.reference???: CTQ2009-12482; CTQ2008-05641

Tipo de documento: Artículo

Resumen : ENHere we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate bpyBF4. Solubility data (xIL,T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, xIL, with immiscibility. In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures. Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies Hm E and volumes Vm E, can be determined.

En : Journal of Physical Chemistry B, 2011, 115, 8763–8774. ISSN: 1520-6106





Autor: Vreekamp, RemkoCastellano, DesiréPalomar, JoséOrtega Saavedra, JuanEspiau Castellano, FernandoFernandez, LuisPenco, Eduvigis

Fuente: https://acceda.ulpgc.es


Introducción



ARTICLE pubs.acs.org-JPCB Thermodynamic Behavior of the Binaries 1-Butylpyridinium Tetrafluoroborate with Water and Alkanols: Their Interpretation Using 1H NMR Spectroscopy and Quantum-Chemistry Calculations Remko Vreekamp, Desire Castellano, Jose Palomar,† Juan Ortega,* Fernando Espiau, Luís Fernandez, and Eduvigis Penco Laboratorio de Termodinamica y Fisicoquímica de Fluidos, Parque Científico-Tecnologico, Universidad de Las Palmas de Gran Canaria, Canary Islands, Spain bS Supporting Information ABSTRACT: Here we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate [bpy][BF4].
Solubility data (xIL,T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, xIL, with immiscibility.
In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures.
Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies HmE and volumes VmE, can be determined.
Hence, at 298.15 and 318.15 K these can only be found with the first four alkanols.
All mixing properties are correlated with a suitable equation ξ (xIL,T,YmE) = 0.
An analysis on the influence of the temperature in the properties is shown, likewise a comparison between the results obtained here and those of analogous mixtures, discussing the position of the CH3 group in the pyridinic ring.
The 1H NMR spectra are determined to analyze the molecular interactions present, especially those due to hydrogen bonds.
Additional information about the molecular interactions and their influence on the mixing properties is obtained by quantum chemistry calculations. ’ INTRODUCTION This work forms part of a broader project that studies...






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