Empirical correlations for second virial coefficients of associated and quantum fluids covering a wide temperature range

2021 ◽  
pp. 113133
Author(s):  
Liu Xu ◽  
Hang-Tao Liu ◽  
Zhen Yang ◽  
Yuan-Yuan Duan
Keyword(s):  
Wide Temperature Range ◽  
Virial Coefficients ◽  
Quantum Fluids ◽  
Empirical Correlations ◽  
Second Virial Coefficients ◽  
Temperature Range

Second Virial Coefficients of Ground State Nitrogen Atoms

1976 ◽  
Vol 31 (12) ◽  
pp. 1722-1724 ◽  
Author(s):  
C. Guidotti ◽  
G. P. Arrighini ◽  
M. Capitelli ◽  
U. T. Lamanna
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Virial Coefficients ◽  
Nitrogen Molecule ◽  
Repulsive Potential ◽  
Second Virial Coefficients ◽  
Temperature Range

Abstract Second virial coefficients of ground state nitrogen atoms have been calculated in the temperature range 6000 - 20000 K. The results have been obtained using experimental potentials for the states 1∑g+, 3∑u+5∑g+ and of the nitrogen molecule and an ab initio Heitler-London potential for the 2∑u+ repulsive potential. Differences up to a factor of 5 are found between the present second virial coefficients and the corresponding values of Kessel'man et al.

Second Virial Coefficients and Transport Properties of Hexafluoride Gases from an Improved Intermolecular Potential

1997 ◽  
Vol 52 (10) ◽  
pp. 748-756
Author(s):  
Ilioara Coroiu ◽  
D. E. Demco
Keyword(s):  
Transport Properties ◽  
Transport Coefficients ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Predictive Ability ◽  
Uranium Hexafluoride ◽  
Chem Phys ◽  
Intermolecular Potential ◽  
Second Virial Coefficients ◽  
Temperature Range

Abstract Second virial coefficients and a large number of Chapman-Cowling collision integrals were calculated for gases obeying an improved intermolecular potential proposed by Aziz et al. [J. Chem. Phys. 94, 1034 (1991)]. The results are tabulated for a large reduced temperature range, kT/ε from 0.1 to 100. The treatment was entirely classical, and no corrections for quantum effects were made. The higher approximations to the transport coefficients were also calculated and tabulated for the same temperature range. These results should be applicable to characterize the bulk properties of various spherical molecules, especially to predict gaseous transport properties. Evaluation of the potential parameters for uranium hexafluoride, together with fitting to second virial coefficient, viscosity, thermal conductivity and self-diffusion data are also presented. This potential appears to have the best overall predictive ability for gaseous hexafluoride data.

Precise Measurements of Second Virial Coefficients of Simple Gases and Gas Mixtures in the Temperature Range Below 300 K

1991 ◽  
Vol 95 (5) ◽  
pp. 615-621 ◽  
Author(s):  
B. Schramm ◽  
E. Elias ◽  
L. Kern ◽  
Gh. Natour ◽  
A. Schmitt ◽  
...  
Keyword(s):  
Virial Coefficients ◽  
Gas Mixtures ◽  
Second Virial Coefficients ◽  
Temperature Range

The Second Virial Coefficients of Some Cyclic Hydrocarbons

1959 ◽  
Vol 12 (3) ◽  
pp. 309 ◽  
Author(s):  
HG David ◽  
SD Hamann ◽  
RB Thomas
Keyword(s):  
Interaction Potential ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Theoretical Curve ◽  
Cyclic Hydrocarbons ◽  
Second Virial Coefficients ◽  
Temperature Range ◽  
Lennard Jones ◽  
Law Of Corresponding States

This paper reports some measurements of the second virial coefficient B of cyclopropane in the temperature range 300 to 400°K . It also gives some values of B for cyclohexane and benzene, derived from critical analyses of the published vapour densities and P-V-T properties of these gases between 300 and 650°K . In each case the results have been fitted to the relation B = α + β/T + γ/T2 + δ/T3 The following conclusions can be drawn : (i) The values of B for benzene and cyclohexane are consistent with the effects of pressure on the enthalpies and heat capacities of the gases. (ii) cycloHexane and benzene show large and almost equal deviations from the law of corresponding states for monatomic gases, but cyclopropane shows a much smaller deviation. (iii) It is impossible to fit the second virial coefficients of benzene and cyclohexane to the theoretical curve for a Lennard-Jones (12,6) gas. But they can be fitted to the curve for a (28,7) gas, and the associated force constants are physically reasonable. It appears that the interaction potential for cyclopropane molecules is intermediate between the (12,6) and (28,7) potentials.

scholarly journals The Structure of Quantum Fluids: Helium and Neon

1973 ◽  
Vol 26 (1) ◽  
pp. 43 ◽  
Author(s):  
AD Klemm ◽  
RG Storer
Keyword(s):  
Effective Potential ◽  
Pair Correlation ◽  
Pair Potential ◽  
Virial Coefficients ◽  
Quantum Fluids ◽  
Second Virial Coefficients ◽  
Quantum Properties ◽  
Effective Pair Potential ◽  
Effective Pair ◽  
Good Agreement

A procedure for the evaluation of the path integrals for the two-particle statistical density matrix at low temperatures is described. It is applied to both helium and neon, the first being the paradigm of a quantum mechanical gas and the second exhibiting weaker, but still significant, quantum effects at temperatures above the triple point. The density independent part of the pair-correlation functions and the second virial coefficients are obtained from these quantities. Three- and many-particle quantum properties are examined by approximating the Slater sum by a product of Boltzmann factors, each factor containing an effective pair-potential defined from the results of the two-particle case. The radial distribution function, obtained from a Percus-Yevick equation using this effective potential, demonstrates the validity of using the effective potential approximation as a tool for studying quantum properties by giving satisfactory results for helium and good agreement with experiment for neon.

Excess second virial coefficients for some dilute binary gas mixtures

1982 ◽  
Vol 35 (8) ◽  
pp. 1525 ◽  
Author(s):  
ML Martin ◽  
RD Trengove ◽  
KR Harris ◽  
PJ Dunlop
Keyword(s):  
Excellent Agreement ◽  
Virial Coefficients ◽  
Gas Mixtures ◽  
Excess Molar Enthalpies ◽  
Second Virial Coefficients ◽  
Temperature Range ◽  
Enthalpies Of Mixing ◽  
Binary Gaseous Systems

Excess and interaction second virial coefficients have been measured in the temperature range 290-320 K for 20 binary gaseous systems. Several of these systems have previously been studied by Brewer. The present values are in excellent agreement with his results. The excess virial coefficients have been used to calculate excess molar enthalpies of mixing at 300 K.

Use of binary diffusion and second virial coefficients to predict viscosities of gaseous systems

1980 ◽  
Vol 33 (9) ◽  
pp. 1993 ◽  
Author(s):  
PS Arora ◽  
HL Robjohns ◽  
TN Bell ◽  
PJ Dunlop
Keyword(s):  
Diffusion Coefficients ◽  
Virial Coefficients ◽  
Binary Diffusion ◽  
Second Virial Coefficients ◽  
Temperature Range ◽  
Binary Diffusion Coefficients ◽  
Potential Parameters

Accurate binary diffusion coefficients measured over the temperature range 275-323 K, together with some excellent virial coefficients in the literature, have been used to derive (m,6,8) potential parameters for the systems He-CH4, He-CF4, He-O2, Ar-O2, CH4-C2H6, CH4-C3H8 and CH4-C4H10. These parameters predict quite well the viscosities reported for these systems by Kestin and coworkers. The results indicate that binary diffusion coefficients can be used to predict viscosities more accurately than binary viscosities can be used to predict diffusion coefficients.

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