화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.114, No.48, 15897-15904, 2010
On the Behavior of Solutions of Xenon in Liquid n-Alkanes Solubility of Xenon in n-Pentane and n-Hexane
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