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New interatomic potential energy and interaction-induced polarizability curves for two ground-state neon atoms were developed and used to predict the second density, acoustic, and dielectric virial coefficients and the dilute gas shear viscosity and thermal conductivity of neon at temperatures up to 5000 K. The potential energy curve is based on supermolecular coupled-cluster (CC) calculations at very high levels up to CC with single, double, triple, quadruple, and perturbative pentuple excitations [CCSDTQ(P)]. Scalar and spin–orbit relativistic effects, the diagonal Born–Oppenheimer correction, and retardation of the dispersion interactions were taken into account. The interaction-induced polarizability curve, which in this work is only needed for the calculation of the second dielectric virial coefficient, is based on supermolecular calculations at levels up to CCSDT and includes a correction for scalar relativistic effects. In addition to these first-principles calculations, highly accurate dielectric-constant gas thermometry (DCGT) datasets measured at temperatures from 24.5 to 200 K were analyzed to obtain the difference between the second density and dielectric virial coefficients with previously unattained accuracy. The agreement of the DCGT values with the ones resulting from the first-principles calculations is, despite some small systematic deviations, very satisfactory. Apart from this combination of two virial coefficients, the calculated thermophysical property values of this work are significantly more accurate than any available experimental data. [ABSTRACT FROM AUTHOR]

The dielectric-constant gas thermometer of Physikalisch-Technische Bundesanstalt (PTB) developed for measuring the Boltzmann constant with a relative uncertainty of 1.9 parts per million was used for determining the virial coefficients of the three noble gases, helium, neon, and argon, at the triple point of water (0.01 ○ C). For this purpose, isotherms were measured up to a maximum pressure of 7 MPa. The evaluation of the highly accurate data by fitting is required to derive an extended working equation for the dependence of the gas pressure on the dielectric constant. The following values have been obtained for the second B and third C virial coefficients, with the standard uncertainties given in parentheses as a multiple of the last digit, considering literature data for the dielectric virial coefficients: helium: B D C G T H e 0.01 ○ C = 11.9257 15 c m 3 / m o l , C D C G T H e 0.01 ○ C = 113.49 58 c m 6 / m o l 2 ; neon: B D C G T N e 0.01 ○ C = 10.9945 28 c m 3 / m o l , C D C G T N e 0.01 ○ C = 215.8 15 c m 6 / m o l 2 ; argon: B D C G T A r 0.01 ○ C = − 21.2331 44 c m 3 / m o l , C D C G T A r 0.01 ○ C = 1143.3 39 c m 6 / m o l 2 . These values are compared with the results of the latest ab initio calculations of the second and third virial coefficients. [ABSTRACT FROM AUTHOR]

Results are reported of a study concerning the variation in isotopic composition of a limited number of neon samples of commercial origin and the resulting influence on the temperature of the triple point of this element All seven neon samples investigated were found to contain more 22Ne than neon in air, and the amount fraction of 22Ne varied by as much as 0.2% from sample to sample. This variation corresponds to a range of triple-point temperatures (Ttp) of more than 200 μK, much larger than the state-of-the-art uncertainty in the realization of this phase transition for metrological purposes. Deviations in the amount fractions of 21Ne were irrelevant, as far as their effect on Ttp is concerned, though they may have relevance to other isotope studies. Ratios of amounts of neon isotopes at IRMM-Geel were obtained using the same measurement procedures, and instrumentation developed in the framework of the redetermination of the Avogadro constant and all significant sources of uncertainty were taken into account. The repeatability of the ion current ratio measurements on individual samples was 5 × 10-5 relative. All uncertainty statements are made following the ISO/BIPM Guide to the Expression of Uncertainty in Measurements. Whereas these results proved unexpected, a more comprehensive study will follow incorporating a much wider range of samples of commercial origin. [ABSTRACT FROM AUTHOR]