Results 161 to 170 of about 3,778 (224)

Automated Refinement of Property-Specific Polarizable Gaussian Multipole Water Models Using Bayesian Black-Box Optimization. [PDF]

J Chem Theory Comput
Wu Y, Zhu Q, Huang Z, Cieplak P, Duan Y, Luo R.   +5 more
europepmc   +1 more source

Phase Separation in Complex Mixtures with Many Components: Analytical Expressions for Spinodal Manifolds. [PDF]

ACS Omega
Bot A, van der Linden E, Venema P.
europepmc   +1 more source

Numerical Study of Turbulent Wind Flow and Hydrocarbon Dispersion in Crude Oil Tank Farms. [PDF]

ACS Omega
Zhang Z, Lin Y, Cao Q, Yu K, Liu Y, Yu A.   +5 more
europepmc   +1 more source

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Correlation of Third Virial Coefficients to Second Virial Coefficients

Zeitschrift Fur Elektrotechnik Und Elektrochemie, 1989
AbstractA 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 Văn Như, Friedrich Kohler
exaly   +2 more sources

The Second Virial Coefficient of Methane at Low Temperature

Nature, 1960
THE second virial coefficient of methane has been determined over a range of temperatures from 108° to 250° K. by means of an apparatus which is described elsewhere1.
Thomaes, Georges, Van Steenwinkel, Raymond   +1 more
openaire   +3 more sources

Second virial coefficient of an interacting anyon gas

Physical Review Letters, 1991
We consider the statistical mechanics of an interacting anyon gas with a repulsive pair potential of the form g/r2. The second virial coefficient is calculated and shown to be a smooth function of the statistical parameter-alpha for g < 0, without the cusps previously found at the Bose point in a noninteracting anyon gas.
Loss, D., FU, Y. T.
openaire   +4 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
openaire   +2 more sources

Second Virial Coefficient of Polar Gases

The Physics of Fluids, 1962
The 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.
openaire   +1 more source