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.
Centro de Química Estrutural, Instituto Superior Técnico, 1049-001 Lisboa, Portugal.
Rui P M F
RP
Bonifácio
Luís F G
LF
Martins
Clare
C
McCabe
Eduardo J M
EJ
Filipe
D000465:Algorithms; D003198:Computer Simulation; D006586:Hexanes / Q000737:chemistry*; D009010:Monte Carlo Method; D010420:Pentanes / Q000737:chemistry*; D012995:Solubility; D012996:Solutions; D013816:Thermodynamics; D014978:Xenon / Q000737:chemistry*
D006586:Hexanes; D010420:Pentanes; D012996:Solutions; C026385:n-hexane; D014978:Xenon; C033353:pentane