A vapour-flow calorimeter fitted with an adjustable throttle. The isothermal Joule-Thomson coefficient of benzene. The temperture-dependence of the second virial coefficient of benzene

1969 ◽  
Vol 1 (5) ◽  
pp. 441-458 ◽  
Author(s):  
P.G. Francis ◽  
M.L. McGlashan ◽  
C.J. Wormald
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Flow Calorimeter ◽  
Thomson Coefficient

scholarly journals Cross Second Virial Coefficient of the H2O–CO System from a New Ab Initio Pair Potential

2022 ◽  
Vol 43 (2) ◽  
Author(s):  
Robert Hellmann
Keyword(s):  
Ab Initio ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Pair Potential ◽  
Intermolecular Potential ◽  
Dilute Gas ◽  
The Cross ◽  
Predicted Values ◽  
High Level ◽  
Thomson Coefficient

AbstractThe cross second virial coefficient $$B_{12}$$ B 12 for the interaction between water (H2O) and carbon monoxide (CO) was obtained with low uncertainty at temperatures from 200 K to 2000 K employing a new intermolecular potential energy surface (PES) for the H2O–CO system. This PES was fitted to interaction energies determined for about 58 000 H2O–CO configurations using high-level quantum-chemical ab initio methods up to coupled cluster with single, double, and perturbative triple excitations [CCSD(T)]. The cross second virial coefficient $$B_{12}$$ B 12 was extracted from the PES using a semiclassical approach. An accurate correlation of the calculated $$B_{12}$$ B 12 values was used to determine the dilute gas cross isothermal Joule–Thomson coefficient, $$\phi _{12}=B_{12}-T(\mathrm {d}B_{12}/\mathrm {d}T)$$ ϕ 12 = B 12 - T ( d B 12 / d T ) . The predicted values for both $$B_{12}$$ B 12 and $$\phi _{12}$$ ϕ 12 agree reasonably well with the few existing experimental data and older calculated values and should be the most accurate estimates of these quantities to date.

scholarly journals The second virial coefficient of a gas of non-spherical molecules

1948 ◽  
Vol 192 (1029) ◽  
pp. 275-292 ◽  
Keyword(s):  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Intermolecular Forces ◽  
Mean Values ◽  
Breadth Ratio ◽  
Thomson Coefficient ◽  
Low Pressures ◽  
Spherical Molecule ◽  
Critical Constants

Tables are given for the second virial coefficient and Joule-Thomson coefficient (at low pressures) of a gas whose molecules are non-polar, approximately cylindrical, and stiff. The tables cover the range of length/breadth ratio consistent with the last assumption. The tables can be used for the analysis of observed virial coefficients of gases whose molecules satisfy these assumptions, and give an estimate of the intermolecular forces between these molecules at any relative orientation. For small ratio of length to breadth the virial coefficient is nearly the same as that of a spherical molecule with certain mean values of the parameters defining the intermolecular field. This makes it possible to relate these mean parameters to the critical constants and to the parachor. The virial coefficients of nine gases are analysed. The data on seven hydrocarbons enable one to estimate the law of force between molecules of the lower non-polar hydrocarbons.

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.

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.

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