Die zweiten Virialkoeffizienten von Helium‐Gasmischungen im Bereich unterhalb Zimmertemperatur

Elias, E.; Hoàng, Nguyễn Văn Minh; Sommer, J.; Schramm, B.

doi:10.1002/bbpc.19860900406

Cited by 55 publications

(20 citation statements)

References 36 publications

(4 reference statements)

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“…Also the computed second virial coefficients for H e-C O agree very well with the available experimental data, 21,22 suggesting that the present potential is rather accurate, and may be very useful for the computation of other observable quantities like scattering cross sections or pressure broaden ing data. Work in this direction is in progress.…”

Section: T (K)supporting

confidence: 72%

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Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex

Moszyński

Korona

Wormer

et al. 1995

The Journal of Chemical Physics

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Symmetry-adapted perturbation theory has been applied to compute the intermolecular potential energy surface of the H e-C O complex. The interaction energy is found to be dominated by the first-order exchange contribution and the dispersion energy. The ab initio potential has a single minimum of em = -24.895 cm " 1 for the linear C O -H e geometry at Rm = 6.85 bohr. The computed potential energy surface has been analytically fitted and used in converged variational calculations to generate bound rovibrational states of the H e-C O molecule and the infrared spectrum, which corresponds to the simultaneous excitation of vibration and internal rotation in the CO subunit within the complex. The predicted positions and intensities of lines in the infrared spectrum are in good agreement with the experimental spectrum [C.E. Chuaqui et al., J. Chem. Phys. 101, 39 (1994)]. The theoretical potential was also checked by comparison of computed excess second virial coefficients with the experimental data. The ab initio interaction virial coefficients, including quantum corrections, lie within the experimental error bars over a wide range of temperatures.

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Section: T (K)supporting

confidence: 72%

“…Assuming that the He atom does not affect the mono mer transition dipole, the line strength is given by S(0,i" ,J" -+v' ,i' ,J') uC'm(r), (21) where C'm{r) …”

Section: Outline Of Dynamical Calculationsmentioning

confidence: 99%

Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex

Moszyński

Korona

Wormer

et al. 1995

The Journal of Chemical Physics

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“…For nitrous oxide, the second and third virial coefficients are reported elsewhere [1], together with the coefficients published in the literature [5][6][7][8][9][10]. For the case of the second virial coefficients, comparisons at the same reduced temperatures showed a good degree of consistency with the other sources of data (taking the mutual uncertainties into account).…”

Section: Resultsmentioning

confidence: 79%

Virial Coefficients from Burnett Measurements for the R23 + N2O System

et al. 2006

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This paper presents experimental results for the trifluoromethane (R23) + nitrous oxide (N 2 O) system, which has been chosen as a working fluid for low-temperature applications since it might be a valid option for the lowtemperature stage in a cascade cycle. The thermodynamic properties of the binary mixture's constituents are well known from the literature, but no experimental results have been published to date on the PVTx properties of this binary system. PVTx measurements were obtained for the binary R23 + N 2 O system for three isotherms (303, 323, and 343 K), performing 15 Burnett expansions in a range of pressures from about 4400 to 80 kPa. The second and third virial coefficients were derived from experimental results together with the second and third cross virial coefficients. The experimental uncertainties in the second and third virial coefficients were estimated to be within ±1 cm 3 ·mol −1 and ±500 cm 6 ·mol −2 , respectively.

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“…The second and third virial coefficients for nitrous oxide, together with the coefficients available in the literature [5][6][7][8][9][10], are reported elsewhere [1]. For second virial coefficients the comparisons at the same reduced temperatures showed fair agreement, considering also the mutual uncertainties, with the sources.…”

Section: Resultsmentioning

confidence: 82%

Burnett Measurements and Virial Coefficients for the R32 + N2O System

et al. 2006

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Experimental results for the difluoromethane (R32) + nitrous oxide (N 2 O) system are presented in this paper. The Burnett apparatus was calibrated using helium, and its performance was confirmed by measurements for pure N 2 O. The values of the virial coefficients for R32 were adopted from previous measurements as the same sample was used in the present study. PVTx measurements were performed for the binary R32 + N 2 O system for four isotherms (303, 323, 343, and 364 K). Twenty Burnett expansions were performed in a pressure range from 5000 to 150 kPa. The second and third virial coefficients along with the cross second and third virial coefficients were derived from experimental results.

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Die zweiten Virialkoeffizienten von Helium‐Gasmischungen im Bereich unterhalb Zimmertemperatur

Cited by 55 publications

References 36 publications

Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex

Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex

Virial Coefficients from Burnett Measurements for the R23 + N2O System

Burnett Measurements and Virial Coefficients for the R32 + N2O System

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