Path-integral calculation of the second virial coefficient including intramolecular flexibility effects

2014 ◽  
Vol 141 (4) ◽  
pp. 044119 ◽  
Author(s):  
Giovanni Garberoglio ◽  
Piotr Jankowski ◽  
Krzysztof Szalewicz ◽  
Allan H. Harvey
Keyword(s):  
Path Integral ◽  
Virial Coefficient ◽  
Second Virial Coefficient

scholarly journals THE FOURTH VIRIAL COEFFICIENT OF ANYONS

1998 ◽  
Vol 13 (21) ◽  
pp. 3723-3747 ◽  
Author(s):  
ANDERS KRISTOFFERSEN ◽  
STEFAN MASHKEVICH ◽  
JAN MYRHEM ◽  
KÅRE OLAUSSEN
Keyword(s):  
Monte Carlo ◽  
Fourier Series ◽  
Monte Carlo Method ◽  
Path Integral ◽  
Virial Coefficient ◽  
Path Integrals ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Partition Functions ◽  
Two Dimensional

We have computed by a Monte Carlo method the fourth virial coefficient of free anyons, as a function of the statistics angle θ. It can be fitted by a four term Fourier series, in which two coefficients are fixed by the known perturbative results at the boson and fermion points. We compute partition functions by means of path integrals, which we represent diagramatically in such a way that the connected diagrams give the cluster coefficients. This provides a general proof that all cluster and virial coefficients are finite. We give explicit polynomial approximations for all path integral contributions to all cluster coefficients, implying that only the second virial coefficient is statistics dependent, as is the case for two-dimensional exclusion statistics. The assumption leading to these approximations is that the tree diagrams dominate and factorize.

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.

scholarly journals Path-integral calculation of the fourth virial coefficient of helium isotopes

2021 ◽  
Vol 154 (10) ◽  
pp. 104107
Author(s):  
Giovanni Garberoglio ◽  
Allan H. Harvey
Keyword(s):  
Path Integral ◽  
Virial Coefficient ◽  
Helium Isotopes

Scattering of anyons with hard-disk repulsion and the second virial coefficient

1991 ◽  
Vol 44 (19) ◽  
pp. 10731-10735 ◽  
Author(s):  
Akira Suzuki ◽  
M. K. Srivastava ◽  
R. K. Bhaduri ◽  
J. Law
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Hard Disk

GENERAL FORMULA FOR THE SECOND VIRIAL COEFFICIENT

1961 ◽  
Vol 39 (11) ◽  
pp. 1563-1572 ◽  
Author(s):  
J. Van Kranendonk
Keyword(s):  
Phase Shift ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Resolvent Operators ◽  
Simple Derivation ◽  
Scattering Phase ◽  
Scattering Phase Shifts ◽  
Quantization Volume ◽  
Mechanical Expression ◽  
The Waves

A simple derivation is given of the quantum mechanical expression for the second virial coefficient in terms of the scattering phase shifts. The derivation does not require the introduction of a quantization volume and is based on the identity R(z)−R0(z) = R0(z)H1R(z), where R0(z) and R(z) are the resolvent operators corresponding to the unperturbed and total Hamiltonians H0 and H0 + H1 respectively. The derivation is valid in particular for a gas of excitons in a crystal for which the shape of the waves describing the relative motion of two excitons is not spherical, and, in general, varies with varying energy. The validity of the phase shift formula is demonstrated explicitly for this case by considering a quantization volume with a boundary the shape of which varies with the energy in such a way that for each energy the boundary is a surface of constant phase. The density of states prescribed by the phase shift formula is shown to result if the enclosed volume is required to be the same for all energies.

Theoretical Assessment of Compressibility Factor of Gases by Using Second Virial Coefficient

2018 ◽  
Vol 73 (2) ◽  
pp. 121-125
Author(s):  
Bahtiyar A. Mamedov ◽  
Elif Somuncu ◽  
Iskender M. Askerov
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Compressibility Factor ◽  
Analytical Approximation ◽  
Accurate Evaluation ◽  
Numerical Examples ◽  
Lennard Jones ◽  
Theoretical Assessment ◽  
Good Agreement

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.

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