Estimating density of ionic liquids under very high pressure

Autor(es)

Penna, Tatiana C. ^[1] ; Paschoal, Vitor H. ^[1] ; Faria, Luiz F. O. ^[1] ; Ribeiro, Mauro C. C. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Dept Quim Fundamental, Lab Espect Mol, Inst Quim, Av Prof Lineu Prestes 748, BR-05508000 Sao Paulo - Brazil

• Tipo de documento: Artigo Científico
• Fonte: JOURNAL OF MOLECULAR LIQUIDS; v. 265, p. 510-516, SEP 1 2018.
• Citações Web of Science: 4

Resumo

Equation of state according to the Carnahan-Starling-van der Waals model has been proposed for ionic liquids based on the anions tetrafluoborate, {[}BE4](-), hexafluorophosphate, {[}PF6](-), and bis(trifluoromethanesufonyl) imide, {[}NTf2](-), from available volumetric data within the MPa range of pressure. Then, the equation of state is used to estimate density in the GPa range of pressure. The hard sphere part of the equation considered a binary mixture of cation and anion spheres whose diameters exhibit a satisfactory degree of transferability among different systems with a common ion. It is shown that pressure induced vibrational frequency shift, Delta v, of the characteristic Raman band of the stretching mode of {[}BE4](-), {[}PF6](-), and {[}NTf2](-) collapses into a master curve when Delta v is plotted as a function of reduced density for each group of ionic liquids. Thus, Raman spectroscopy provides a validation test of the high-pressure extrapolation of the equation of state for ionic liquids. (C) 2018 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 12/13119-3 - Espectroscopia vibracional em fases condensadas
• Beneficiário: Mauro Carlos Costa Ribeiro
• Linha de fomento: Auxílio à Pesquisa - Temático
• Processo FAPESP: 15/07516-8 - Dinâmica coletiva de líquidos iônicos
• Beneficiário: Vitor Hugo Paschoal
• Linha de fomento: Bolsas no Brasil - Doutorado Direto
• Processo FAPESP: 15/05803-0 - Estrutura de líquidos iônicos em alta pressão
• Beneficiário: Luiz Felipe de Oliveira Faria
• Linha de fomento: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 13/07741-6 - Espectroscopia Vibracional e Propriedades Termodinâmicas de Líquidos Iônicos em Alta Pressão
• Beneficiário: Tatiana Casselli Penna
• Linha de fomento: Bolsas no Brasil - Doutorado