Accurate assessment of the Boyle temperature of nonpolar molecular gases using second virial coefficient with Lennard-Jones (12-6) potential

2018 ◽  
Vol 93 (5) ◽  
pp. 565-569 ◽  
Author(s):  
E. Somuncu
2018 ◽  
Vol 73 (2) ◽  
pp. 121-125
Author(s):  
Bahtiyar A. Mamedov ◽  
Elif Somuncu ◽  
Iskender M. Askerov

AbstractWe present a new analytical approximation for determining the compressibility factor of real gases at various temperature values. This algorithm is suitable for the accurate evaluation of the compressibility factor using the second virial coefficient with a Lennard–Jones (12-6) potential. Numerical examples are presented for the gases H2, N2, He, CO2, CH4 and air, and the results are compared with other studies in the literature. Our results showed good agreement with the data in the literature. The consistency of the results demonstrates the effectiveness of our analytical approximation for real gases.


1969 ◽  
Vol 50 (9) ◽  
pp. 4034-4055 ◽  
Author(s):  
M. E. Boyd ◽  
S. Y. Larsen ◽  
J. E. Kilpatrick

It is shown how to evaluate the two-body, and three-body cluster integrals, ɳ 3 , ɳ * 3 , β 3 , β * 3 (equations (1.1) to (1.4)) for the hard-sphere, square-well and Lennard-Jones ( v :½ v ) potentials; the three-body potential used is the dipole-dipole-dipole potential of Axilrod & Teller. Explicit expressions are presented for the integrals ɳ * 3 , β * 3 using the above potentials; in the case of the first integral, its values for both small and large values of the separation distance are also given, for the Lennard-Jones ( v :½ v ) potential. Similar considerations have been carried out for ɳ 3 and β 3 , except that explicit expressions for the hard-sphere, and square-well potentials are not given, since these had been done before by other authors. The intermediate expressions for the four cluster integrals, are in terms of single integrals, and such expressions are valid for any continuous potential. Numerical results based on some of the expressions in this paper are compared with the results of numerical evaluation of the above integrals by other authors, and the agreement is seen to be good. Making use of the Mikolaj-Pings relation, the above results are used to obtain relationships between the second virial coefficient, and X-ray scattering data, as well as a means of deducing the pair potential at large separations, directly from a knowledge of X-ray scattering data, and the second virial coefficient.


2013 ◽  
Vol 68 (12) ◽  
pp. 773-776
Author(s):  
Akira Matsumoto

Some thermodynamic quantities for the Lennard-Jones (12,6) potential are expressed as analytical formula at an isobaric process. The parameters of Lennard-Jones gases for 18 substances are obtained by the second virial coefficient data. Also some thermodynamic quantities for benzene are calculated numerically and drawn graphically. The inflexion point of the length L which depends on temperature T and pressure P corresponds physically to a boiling point. L indicates the liquid phase from lower temperature to the inflexion point and the gaseous phase from the inflexion point to higher temperature. The boiling temperatures indicate reasonable values comparing with experimental data. The behaviour of L suggests a chance of a first-order phase transition in one dimension.


2015 ◽  
Vol 142 (3) ◽  
pp. 034305 ◽  
Author(s):  
Alfredo González-Calderón ◽  
Adrián Rocha-Ichante

1975 ◽  
Vol 17 (5) ◽  
pp. 243-251 ◽  
Author(s):  
E. J. Le Fevre ◽  
M. R. Nightingale ◽  
J. W. Rose

It is shown that the specific second virial coefficient for ordinary water substance, expressed as a function of temperature, is correlated by This correlation, motivated by recent observations from low-pressure steady-flow calorimetry from 20°C to 140°C, also covers older tabulated values of the second virial coefficient extending to 800°C. The Boyle temperature is found to be 1498 K. B2 = a1 f1 + a2 f2 + a3 f3 where f1 = 1/(1 + T/α), f2 = (1 - e-β/ T)5/2( T/β)1/2eβ/ T, f3 = β/ T, α = 10000 K, β = 1500 K, a1 = 0.0015 m3/kg, a2 = −0.000942 m3/kg and a3 = −0.0004882 m3/kg.


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