On the Behavior of Solutions of Xenon in Liquid n-Alkanes: Solubility of Xenon ...

• Autor(es): Bonifácio, Rui P. M. F. ; Martins, Luís F. G. ; McCabe, Clare ; Filipe, Eduardo J. M.
• Data: 2010
• Identificador Persistente: http://hdl.handle.net/10174/3603
• Origem: Repositório Científico da Universidade de Évora
• Assunto(s): solubility; xenon; alkanes; enthalpy of solvation
• Tipo de Documento: Artigo
• Idioma: Inglês

Descrição

The solubility of xenon in liquid n-pentane and n-hexane has been studied experimentally, theoretically, and by computer simulation. Measurements of the solubility are reported for xenon + n-pentane as a function of temperature from 254 to 305 K. The uncertainty in the experimental data is less than 0.15%. The thermodynamic functions of solvation such as the standard Gibbs energy, enthalpy, and entropy of solvation have been calculated from Henry’s law coefficients for xenon + n-pentane solutions and also for xenon + n-hexane, which were reported in previous work. The results provide a further example of the similarity between the xenon + n-alkane interaction and the n-alkane + n-alkane interactions. Using the SAFT-VR approach we were able to quantitatively predict the experimental solubility for xenon in n-pentane and semiquantitatively that of xenon in n-hexane using simple Lorentz−Berthelot combining rules to describe the unlikely interaction. Henry’s constants at infinite dilution for xenon + n-pentane and xenon + n-hexane were also calculated by Monte Carlo simulation using a united atom force field to describe the n-alkane and the Widom test particle insertion method.