Water solubility in linear fluoroalkanes used in blood substitute formulations

• Tipo: Artigo em Revista Científica Internacional
• Data: 2006

Autores

Mara G Freire (Autor) Outra; Ligia Gomes (Autor) Outra; Luis M N B F Santos (Autor) FCUP; Isabel M Marrucho (Autor) Outra; Joao A P Coutinho (Autor) Outra

Revista

Título: Journal of Physical Chemistry B

Vol. 110

Páginas: 22923-22929

ISSN: 1520-6106

Editora: American Chemical Society

Indexação

ISI Web of Knowledge - 31 Citações

Scopus - 33 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-004-G2H

DOI: 10.1021/jp0622942

Abstract (EN): The interactions between water and n-perfluoroalkanes or substituted alpha-(omega-) fluoroalkanes used in blood substitute formulations were investigated experimentally and using ab initio calculations. The solubility of water in C(6)-C(9) perfluoroalkanes and five C(8) analogues of substituted fluoroalkanes was measured in the temperature range between 288 and 318 K at atmospheric pressure, using a Karl Fischer coulometer. From these data, the thermodynamic functions and partial molar solvation quantities such as Gibbs energy, enthalpy, and entropy were determined and compared with the interaction energies in 1:1 water-fluoroalkane complexes in vacuum, obtained using B3LYP/6-311++G(d,p). The experimental solubility data indicates a significant specific interaction between the water and the alpha-(omega-)substitute atom (H, I, Br, or Cl) in the fluoroalkanes.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 7