On the behaviour of solutions of xenon in liquid cycloalkanes: Solubility of xenon in cyclopentane

Abstract

a b s t r a c tThe solubility of xenon in liquid cyclopentane has been studied experimentally and theoretically. Measurements of the solubility of xenon in liquid cyclopentane are reported as a function of temperature from 254.60 K to 313.66 K. The imprecision of the experimental data is less than 0.3%. The thermodynamic functions of solvation of xenon in cyclopentane, such as the standard Gibbs energy, enthalpy, entropy and heat capacity of solvation, have been calculated from the temperature dependence of Henry's law coefficients. The results provide further information about the differences between the xenon + cycloalkanes and the xenon + n-alkane interactions. In particular, interaction enthalpies between xenon and CH 2 groups in nalkanes and cycloalkanes have been estimated and compared. Using a version of the soft-SAFT approach developed to model cyclic molecules, we were able to reproduce the experimental solubility for xenon in cyclopentane using simple Lorentz-Berthelot rules to describe the unlike interaction.

Excess Thermodynamic Properties of Mixtures Involving Xenon and Light Alkanes: A Study of Their Temperature Dependence by Computer Simulation

“…As previously explained, we have recently measured interaction enthalpies of dilute solutions of xenon in liquid n -alkanes and concluded that the interaction between xenon and the CH 3 group is stronger than that with CH 2 . , This information is taken into account by the TraPPE-UA model used in this work; it uses a larger nonbonded energy parameter for CH 3 than for CH 2 . This procedure, however, might seem to be in conflict with the simulation results because we have found that the excess enthalpy becomes more negative as the proportion of CH 2 group within the alkane molecule increases.…”

“…Interestingly, this reduced temperature is very close to that at which H m E ( x = 0.5) vanishes for binary mixtures of n -alkanes (0.57–0.59). In the second one, we have been able to decompose the interaction enthalpy into its (xenon + CH 2 ) and (xenon + CH 3 ) contributions, confirming that the Xe–CH 3 interaction is stronger than Xe–CH 2 .…”

Solubility of xenon in liquid n-alkanes and cycloalkanes by computer simulation. Towards the perfect anaesthetic

“…The results obtained from the Monte Carlo simulations for Henry ´s constant as a function of temperature are presented in Tables 2 And 3 (for xenon in n-alkanes and cycloalkanes, respectively), and plotted in Fig. 1 (xenon in n-alkanes) and 2 (xenon in cycloalkanes), along with experimental results from Pollack et al [20,21] and Bonifácio et al [23,33].…”

“…In Fig. 7, the enthalpy of solvation of xenon in cyclopentane and cyclohexane from experimental results [21,33] are also included.…”

“…Mixtures involving xenon and cycloalkanes have also been studied in our research group [16,[31][32]. Solutions of xenon in cyclopentane in a wider temperature range were recently reported [33]. Comparing with (xenon + n-pentane), both enthalpy and entropy of solvation show opposite temperature dependences.…”