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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

How Does the Addition of a Third Ion Affect the Molecular Interactions and the Thermodynamic Properties of Acetate-Based Ionic Liquids?

Texto completo
Autor(es):
Otero, I. [1, 2] ; Lepre, L. F. [3] ; Dequidt, A. [1, 2] ; Husson, P. [1, 2] ; Costa Gomes, M. F. [1, 2]
Número total de Autores: 5
Afiliação do(s) autor(es):
[1] CNRS, Inst Chim Clermont Ferrand, BP 80026, F-63171 Aubiere - France
[2] Univ Clermont Auvergne, BP 80026, F-63171 Aubiere - France
[3] Univ Sao Paulo, Dept Quim Fundamental, Lab Espect Mol, Inst Quim, CP 26077, BR-05513970 Sao Paulo - Brazil
Número total de Afiliações: 3
Tipo de documento: Artigo Científico
Fonte: Journal of Physical Chemistry B; v. 121, n. 41, p. 9725-9736, OCT 19 2017.
Citações Web of Science: 4
Resumo

The effect of the addition of a third ion to the ionic liquid 1-butyl-3-methylimidazolium acetate {[}C(4)C(1)Im]-{[}OAc] was studied through the measurement of the enthalpy of mixing and of the excess molar volume of its mixtures with 1-butyl-3-methylimidazolium trifluoroacetate {[}C(4)C(1)Im]-{[}CF3CO2], 1-butyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)imide {[}C(4)C(1)Im]{[}NTf2], and tetrabutylphosphonium acetate {[}P-4444]{[}OAc]. Negative enthalpies of mixing (Delta H-mix < 0) and positive excess molar volumes (V-E > 0) were observed in all cases. The infrared and NMR studies of the pure ionic liquids and their mixtures show that the presence of a third ion with a weaker affinity with the common counterion contributes to prevailing the more favorable hydrogen-bond, herein always between the imidazolium cation and the acetate anion. Both radial and spatial distribution functions calculated by molecular simulation confirm this behavior. The remarkable enhancement of the viscosities of the {[}C(4)C(1)Im]{[}OAc] + {[}P-4444]{[}OAc] mixtures could be discussed in light of the calculated friction coefficients. (AU)

Processo FAPESP: 15/07145-0 - Líquidos iônicos para captura de dióxido de carbono
Beneficiário:Luiz Fernando Lepre
Linha de fomento: Bolsas no Exterior - Estágio de Pesquisa - Doutorado
Processo FAPESP: 13/23234-7 - Líquidos Iônicos para Captura de CO2: Absorção Física vs. Química.
Beneficiário:Luiz Fernando Lepre
Linha de fomento: Bolsas no Brasil - Doutorado