Solid–liquid equilibrium prediction for binary mixtures of Ar, O2, N2, Kr, Xe, and CH4 using the LJ-SLV-EoS

Abstract

In a previous paper, authors used molecular simulation data for Lennard-Jones fluids for the regression of the binary interaction parameters of the LJ-SLV-EoS. The binary interaction parameters of the EoS have been expressed as simple functions of the ratios σ 11 /σ 22 and ε 11 /ε 22. This procedure allows obtaining a qualitative prediction of the solid-liquid phase behavior of mixtures composed of simple fluids. This work presents the predicted phase diagrams including solid phases for binary mixtures composed of argon, oxygen, nitrogen, krypton, xenon, and methane. Predictions are in qualitative agreement with the phase behavior documented by the experimental data available from the literature. The adopted procedure allows producing a qualitative reasonable phase diagram for mixtures knowing the Lennard-Jones parameters of the mixture components. The comparison with literature data shows that the adopted procedure is suitable for predicting the solid-liquid behavior of the mixture, distinguishing among eutectic, solid solution, solid-liquid azeotrope.

Realizations of the Triple Point of Sulfur Hexafluoride in Transportable and Refillable Cells

“…There are, however, other nonideal behaviors that alter the shape of the melting curve, but physical interpretations of the melting curves can be ambiguous [35]. In particular, N2 is known to form eutectic mixtures in binary combinations with Ar, O2, and CH4 [33], [37]. The net effect of a possible associated solid solution of SF6 and N2 would be to increase the effective sensitivity of the melting curve to the impurity in the dilute limit.…”

Gibbs Free Energy Equation of State for Solid Methane from 21 to 300 K and up to 5000 MPa

“…The functional form of the EoS developed for solid I methane will be applied to other substances in the future. This model of the solid phase represents a first contribution in the extension of previous modeling works (Campestrini et al, , Stringari and Campestrini, Langè et al, Stringari et al, and Campestrini and Stringari) on low-temperature phase equilibria to a complete representation of all thermodynamic properties, for both the solid and the fluid phases. This aspect is a step forward in the modeling of systems relevant to cryogenic fluvial geochemistry and other lacustrine and atmospheric phenomena in Titan and other celestial bodies, where the model capability of representing even small differences in thermodynamic properties, for instance, density, is fundamental to reproduce the occurring physical phenomena.…”

Xenon-Doped Liquid Argon TPCs as a Neutrinoless Double Beta Decay Platform

“…The viability of loading large quantities of 136 Xe into LAr must also be considered. Theoretical calculations indicate that concentrations of roughly 2% xenon loaded in LAr at 87 K will remain in the fluid phase [32]. This has been demonstrated experimentally, in studies of the energy response of modest quantities of LAr doped with xenon to the percent level [33][34][35].…”

“…Large-scale LArTPC experiments have demonstrated lifetimes within and beyond this range, including MicroBooNE (> 20 ms) [19] and ProtoDUNE (∼ 100 ms) [20]. Xenon loading is assumed to be at a concentration to 2% molar fraction (corresponding to 6.79% fraction by mass) [21], with xenon enriched to 90% 136 Xe. This nominal detector concept corresponds to 993 metric tons of xenon inside the LArTPC active volume.…”

“…Once available, such quantities of Xe would also need to be loaded into the LAr. Xe loading of 2% is achievable in theory [32], and experiments have indeed explored this level of doping [35]. However, the experimental conditions that have been demonstrated at this level xenon doping do not mimic those in a large LArTPC, where filtering and other environmental conditions could impact the stability of the solution.…”