Corresponding states theory of mixtures of hard spheres

1972 ◽  
Vol 37 (1) ◽  
pp. 210-221
Author(s):  
K. Hlavatý
Keyword(s):  
Hard Spheres ◽  
Corresponding States ◽  
Theory Of Mixtures

About the Usage of Scaling Parameters in the Scaled Particle Theory of Mixtures of Non-Additive Hard Spheres

1993 ◽  
Vol 48 (8-9) ◽  
pp. 899-905 ◽  
Author(s):  
H. M. Schaink
Keyword(s):  
Equation Of State ◽  
Hard Spheres ◽  
Present Theory ◽  
Scaled Particle Theory ◽  
Particle Theory ◽  
Scaling Parameters ◽  
Third Virial Coefficient ◽  
Theory Of Mixtures ◽  
The One ◽  
Compressibility Factors

Abstract A new simple equation of state is derived for symmetric and asymmetric mixtures of non-additive hard spheres. The derivation of the equation of state is reminiscent of the scaled particle theory. However, this method uses two scaling parameters, which depend on the composition of the mixture. As a result, the equation of state presented here approaches in a natural way the limit of the one component fluid. This feature of the present theory stands in sharp contrast to common scaled particle theories for non-additive hard spheres, where the one component limit has an unphysical dependence on the non-additivity. The equation of state can be used for mixtures of particles that differ in size and has a second and a third virial coefficient which are exact up to first order in the non-additivity. The compressibility factors and the demixing densities predicted by the present equation of state are in fairly good agreement which available MC data.

The influence of third-order interactions on the density profile of associating hard spheres

1997 ◽  
Vol 91 (4) ◽  
pp. 761-767 ◽  
Author(s):  
D. HENDERSON ◽  
S. SOKOŁOWSKI ◽  
R. ZAGORSKI ◽  
A. TROKHYMCHUK
Keyword(s):  
Density Profile ◽  
Hard Spheres ◽  
Third Order

Glass transition for dipolar hard spheres: a mode-coupling approach

1998 ◽  
Vol 77 (2) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Scheidsteger, Rolf Schilling
Keyword(s):  
Glass Transition ◽  
Mode Coupling ◽  
Hard Spheres ◽  
Coupling Approach

Quantum effects in a system of Boltzmann hard spheres

2018 ◽  
Vol 189 (06) ◽  
pp. 659-664
Author(s):  
Sergei M. Stishov
Keyword(s):  
Hard Spheres ◽  
Quantum Effects

Quantum-chemical analysis of small silver clusters

1987 ◽  
Vol 52 (7) ◽  
pp. 1652-1657 ◽  
Author(s):  
Grigorii V. Gadiyak ◽  
Yurii N. Morokov ◽  
Mojmír Tomášek
Keyword(s):  
Hard Spheres ◽  
Electronic Configuration ◽  
Close Packing ◽  
Basis Sets ◽  
Silver Clusters ◽  
Quantum Chemical Analysis ◽  
Spin Distribution ◽  
Spin Polarized ◽  
Atomic Silver ◽  
Equilibrium Geometries

Total energy calculations of three- and four-atomic silver clusters have been performed by the spin-polarized version of the CNDO/2 method to get the most stable equilibrium geometries, atomization energies, and charge and spin distribution on the atoms for three different basis sets: {s}, {sp}, and {spd}. When viewed from the equilateral triangle and square geometries, the last electronic configuration, i.e. the {spd} one, appears to be most stable with respect to the geometrical deformations considered. In this case, the behaviour of the atoms of both clusters resembles that of hard spheres (i.e. close-packing).

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