scholarly journals Comparison between the Theoretical and Experimental Values of the Second Virial Coefficient of Ring Polymers

2011 ◽  
Vol 68 (12) ◽  
pp. 804-810 ◽  
Author(s):  
Naomi HIRAYAMA ◽  
Kyoichi TSURUSAKI ◽  
Tetsuo DEGUCHI
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Ring Polymers ◽  
Experimental Values

Pairwise additive third virial coefficients for multipolar molecules : Application to water vapour

1971 ◽  
Vol 24 (8) ◽  
pp. 1567 ◽  
Author(s):  
CHJ Johnson ◽  
TH Spurling
Keyword(s):  
Water Vapour ◽  
Potential Function ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Axially Symmetric ◽  
Multidimensional Integration ◽  
Third Virial Coefficient ◽  
Qualitative Effect ◽  
Experimental Values

Pairwise additive third virial coefficients for axially symmetric multipolar molecules have been calculated using a non-product multidimensional integration formula. Results for the Stockmayer potential agree with the corrected results of Rowlinson. It is found that the inclusion of the dipole-quadrupole and quadrupole-quadrupole terms in the potential function has a marked qualitative effect on the shape of the C-T curve. Values of the third virial coefficient for water vapour calculated using a potential function derived from gaseous viscosity and second virial coefficient data are in good agreement with the experimental values.

scholarly journals A Monte Carlo study of the second virial coefficient of semiflexible ring polymers

2010 ◽  
Vol 42 (9) ◽  
pp. 735-744 ◽  
Author(s):  
Daichi Ida ◽  
Daisuke Nakatomi ◽  
Takenao Yoshizaki
Keyword(s):  
Monte Carlo ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Monte Carlo Study ◽  
Ring Polymers

Second Virial Coefficient of the 2cLJ, 3cLJ and 4cLJ Molecules

1994 ◽  
Vol 59 (4) ◽  
pp. 756-767 ◽  
Author(s):  
Tomáš Boublík
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Temperature Range ◽  
Lennard Jones ◽  
Pair Potentials ◽  
Error Bars ◽  
Experimental Values ◽  
The Individual

The second virial coefficient was evaluated for the two-centre, three-centre and four-centre Lennard Jones molecules with the site site distance l ∈ (0,1) at the reduced temperatures Tr = 0.6 - 3.0. The obtained data are correlated by an expression derived originally for the Kihara non-spherical molecules; the same value of the σ-parameter is considered for the both pair potentials whereas εKihara/εncLJ and lKihara / lncLJ vary with the increasing values of lncLJ. Values of the virial coefficient of the individual ncLJ molecules agree within error bars with experimental values in the whole temperature range studied; with only slightly higher deviations also data for the single 2cLJ, 3cLJ and 4cLJ molecules for all the lncLJ values can be correlated.

The second virial coefficient of a non-associating gas with anisotropic interactions

1980 ◽  
Vol 45 (9) ◽  
pp. 2375-2383 ◽  
Author(s):  
Miloš Ševčík ◽  
Tomáš Boublík
Keyword(s):  
Experimental Data ◽  
Perturbation Theory ◽  
Intermolecular Interactions ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Pair Potential ◽  
Lennard Jones ◽  
Different Temperatures ◽  
Anisotropic Interactions ◽  
Experimental Values

The second virial coefficient in systems with permanent and induced multipole interactions was studied by using a statistical-thermodynamics correlation based on the perturbation theory of fluids. Several pair potential combinations of the Lennard-Jones function with different, subsequently more complex anisotropic contributions, were considered; the improvement in the description of intermolecular interactions due to these non-central contributions brought about an improvement in the interpretation of experimental data. The characteristic dependence of the parameters ε/k on σ at different temperatures was obtained for all of the three systems studied (Ar, CH4 and CH3F). It was found that if experimental values of the second virial coefficient of methyl fluoride are correlated by a relation derived from the Stockmayer potential, two sets of the ε/k and σ can be employed.

Calculation of Viscosity Coefficient of Moderately Dense Fluids from the Modified SAFT-BACK Equation of State

2011 ◽  
Vol 110-116 ◽  
pp. 874-879
Author(s):  
Ali Maghari ◽  
Saeed Pourasad
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Viscosity Coefficient ◽  
Enskog Theory ◽  
Thermal Pressure ◽  
Average Deviation ◽  
Dense Fluids ◽  
Temperature Ranges ◽  
Experimental Values ◽  
Modified Enskog Theory

The viscosity of some simple fluids in the wide density and temperature ranges have been calculated by the modified Enskog theory (MET) and with the help of Kaplun equations. The thermal pressure, second virial coefficient and internal energy are calculated from the modified SAFT-BACK EOS. The proposed scheme was further examined for the prediction of the viscosity of some dense fluids, including Ar, N2, O2, CO2, CH4, C2H6, C3H8 and C4H10. A comparison of the calculated and experimental values of the viscosity yields an overall average deviation of 2.16%.

Interpretation of Preferential Adsorption Using Random Phase Approximation Theory

1995 ◽  
Vol 60 (10) ◽  
pp. 1641-1652 ◽  
Author(s):  
Henri C. Benoît ◽  
Claude Strazielle
Keyword(s):  
Approximation Theory ◽  
Random Phase Approximation ◽  
Virial Coefficient ◽  
Random Phase ◽  
Second Virial Coefficient ◽  
Solvent Mixture ◽  
Gyration Radius ◽  
Thermodynamic Quantities ◽  
Phase Approximation ◽  
Preferential Adsorption

It has been shown that in light scattering experiments with polymers replacement of a solvent by a solvent mixture causes problems due to preferential adsorption of one of the solvents. The present paper extends this theory to be applicable to any angle of observation and any concentration by using the random phase approximation theory proposed by de Gennes. The corresponding formulas provide expressions for molecular weight, gyration radius, and the second virial coefficient, which enables measurements of these quantities provided enough information on molecular and thermodynamic quantities is available.

The Bender Equation of State and Virial Coefficients

2000 ◽  
Vol 65 (9) ◽  
pp. 1464-1470 ◽  
Author(s):  
Anatol Malijevský ◽  
Tomáš Hujo
Keyword(s):  
Equation Of State ◽  
Virial Coefficient ◽  
Virial Coefficients ◽  
Low Density ◽  
Second Virial Coefficients ◽  
The Third ◽  
Temperature Dependences ◽  
Experimental Values

The second and third virial coefficients calculated from the Bender equation of state (BEOS) are tested against experimental virial coefficient data. It is shown that the temperature dependences of the second and third virial coefficients as predicted by the BEOS are sufficiently accurate. We conclude that experimental second virial coefficients should be used to determine independently five of twenty constants of the Bender equation. This would improve the performance of the equation in a region of low-density gas, and also suppress correlations among the BEOS constants, which is even more important. The third virial coefficients cannot be used for the same purpose because of large uncertainties in their experimental values.

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