Liquid mixtures of xenon with fluorinated species: xenon + sulfur hexafluoride.

The vapor-liquid equilibrium of binary mixtures of xenon + SF6 has been measured at nine temperatures from 235.34 to 295.79 K and pressures up to 6.

Molecular dynamics study of the thermodynamic properties of calcium apatites. 2. Monoclinic phases.

Structural and thermodynamic properties of crystalline monoclinic calcium apatites, Ca10(PO4)6(X)2 (X=OH, Cl), were investigated for the first time using a molecular dynamics (MD) technique under a wide range of temperature and pressure conditions. The accuracy of the model at room temperature and atmospheric pressure was checked against crystal structural data, yielding maximum deviations of ca. 2%.

A molecular dynamics study of the thermodynamic properties of calcium apatites. 1. Hexagonal phases.

Structural and thermodynamic properties of crystal hexagonal calcium apatites, Ca10(PO4)6(X)2 (X = OH, F, Cl, Br), were investigated using an all-atom Born-Huggins-Mayer potential by a molecular dynamics technique. The accuracy of the model at room temperature and atmospheric pressure was checked against crystal structural data, with maximum deviations of ca. 4% for the haloapatites and 8% for hydroxyapatite.

Surface Tension of Mixtures of Molecular Fluids: Comparison between the Experimental and Theoretical Study of CH4 + Kr, Kr + NO, and CH4 + NO.

We report a study of the surface tension of three binary liquid mixtures of molecular fluids. A microscopic mean field theory (MFT) has been used to calculate the theoretical results enabling the comparison with the experimental data. The mean field theory has been successfully used in the prediction of the surface properties of simple systems composed by quasi-spherical molecules.