Results 181 to 190 of about 2,837,565 (258)

Virial coefficients of Lennard-Jones mixtures

The Journal of Chemical Physics, 2009
We 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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Reference Values for the Cross Second Virial Coefficients and Dilute Gas Binary Diffusion Coefficients of the Systems (H2O + O2) and (H2O + Air) from First Principles

Journal of Chemical and Engineering Data, 2020
The cross second virial coefficients and dilute gas binary diffusion coefficients of water (H2O) in oxygen (O2) and air were predicted with high accuracy for temperatures up to 2000 K using statist...
R. Hellmann
semanticscholar   +1 more source

Molecular‐based virial coefficients of CO2‐H2O mixtures

AICHE Journal, 2015
Andrew J Schultz, David A Kofke, Allan H Harvey   +2 more
exaly   +2 more sources

On-the-Fly Second Virial Coefficients

The Journal of Physical Chemistry B, 2021
A 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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Virial coefficients of protein solutions

Archives of Biochemistry and Biophysics, 1972
Abstract 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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Fifth Virial Coefficients

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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Interpolation of virial coefficients

Molecular Physics, 2009
The 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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Quantum virial coefficients of molecular nitrogen

Molecular Physics, 2017
We report virial coefficients up to third order in density for molecular nitrogen, investigating 103 temperatures in the range (15 K, 3000 K). All calculations are based on an ab initio-based potential taken from the literature. Path-integral Monte Carlo
Ramachandran Subramanian, Andrew J Schultz, David A Kofke   +2 more
exaly   +2 more sources

The Virial Coefficients of Gases

Physics Bulletin, 1970
J H Dymond and E B Smith London: Oxford University Press 1969 pp xvi + 232 price £2 5s Scientists and engineers concerned with the properties of gases have long felt the need for an authoritative reference book of tabulated data on virial coefficients.
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Measurement of the temperature variation of virial coefficients. II. The second virial coefficients of benzene

Australian Journal of Chemistry, 1966
New measurements of the temperature variation of the second virial coefficient of benzene from 35º to 184º are reported, combined with selected direct measurements up to 33j0, and used to evaluate the parameters for various intermolecular potential energy functions.
GA Bottomley, TH Spurling
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