Results 161 to 170 of about 25,110 (216)
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Correlation of Third Virial Coefficients to Second Virial Coefficients
Berichte der Bunsengesellschaft für physikalische Chemie, 1989AbstractA correlation is given for the prediction of third virial coefficients of pure substances and mixtures in terms of second virial coefficients. The substance properties which are needed for the correlation are the critical temperature, the reduced dipole moment, and the parameters for the hard body modelling the molecule.
Nguyen Van Nhu +2 more
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The Journal of Chemical Physics, 1966
A numerical method for evaluating fifth virial coefficients for spherical pairwise-additive potentials is described. Results are given for the case of the Lennard-Jones 12–6 potential.
J. A. Barker, P. J. Leonard, A. Pompe
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A numerical method for evaluating fifth virial coefficients for spherical pairwise-additive potentials is described. Results are given for the case of the Lennard-Jones 12–6 potential.
J. A. Barker, P. J. Leonard, A. Pompe
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Virial coefficients of model alkanes
The Journal of Chemical Physics, 2010We report the results from Mayer-sampling Monte Carlo calculations of the virial coefficients of the united-atom TraPPE-UA model of normal alkanes. For alkane chain lengths from n=2 to 20 (where n is the number of carbon atoms), results are given for the virial coefficients B2, B3, and B4; results for B5 are given for chains up to length n=12; and ...
Andrew J, Schultz, David A, Kofke
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Virial coefficients of protein solutions
Archives of Biochemistry and Biophysics, 1972Abstract An osmometer capable of measuring protein osmotic pressures up to 100 cms. of mercury pressure has been described. The principle of the osmometer is to set a given pressure and to permit the protein concentration to equilibrate with the pressure.
H B, Bull, K, Breese
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Interpolation of virial coefficients
Molecular Physics, 2009The paper presents a method for interpolation of the temperature dependence of the coefficients appearing in the virial equation of state. Regression of available data for a virial coefficient at high and low temperatures is used to formulate an approximant that captures the order-of-magnitude behaviour in these extremes. This behaviour is factored out
Andrew J. Schultz, David A. Kofke
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On-the-Fly Second Virial Coefficients
The Journal of Physical Chemistry B, 2021A simple but approximate algorithm is described for computing second virial coefficients based on equilibrated molecular configurations that may be generated during any Monte Carlo or molecular dynamics simulation. The algorithm uses simple quadrature based on sampling every binary pair in the configuration and moving their center-center distances from
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Fluid Phase Equilibria, 2007
Abstract Second and third virial coefficients ( B and C ) for the T range from about the critical temperature to the Boyle temperature are presented for argon, carbon dioxide, ethane, hydrogen, methane, nitrogen, oxygen, and propane. That these virial coefficients are more reliable than those previously available is demonstrated by the ability of
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Abstract Second and third virial coefficients ( B and C ) for the T range from about the critical temperature to the Boyle temperature are presented for argon, carbon dioxide, ethane, hydrogen, methane, nitrogen, oxygen, and propane. That these virial coefficients are more reliable than those previously available is demonstrated by the ability of
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Second Virial Coefficient of Polar Gases
The Physics of Fluids, 1962The theoretical expressions for the second virial coefficient, B(T), are derived for the (18–6-3) Stockmayer potential Φ(r)=4ε[(σr)18−(σr)6]−μ2r3g(θ1,θ2,φ),where g(θ1, θ2, φ) = 2 cos θ1 cos θ2 − sin θ1 sin θ2 cos φ, and also according to the (28–7-3) potential.
Saxena, S. C., Joshi, K. M.
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Virial coefficients of Lennard-Jones mixtures
The Journal of Chemical Physics, 2009We report results of calculations of the second through sixth virial coefficients for four prototype Lennard-Jones (LJ) mixtures that have been the subject of previous studies in the literature. Values are reported for temperatures ranging from T=0.6 to T=10.0, where here the temperature is given units of the LJ energy parameter of one of the ...
Andrew J, Schultz, David A, Kofke
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CHAPTER 6. Virial Coefficients
2014The virial equation of state of a gas is a series expansion of the pressure in powers of inverse molar volume, the mth coefficient of which is given by a set of exact cluster integrals involving m molecules. For mixtures, the composition dependence of the virial coefficients can be expressed exactly in terms of interaction virial coefficients and the ...
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