scholarly journals Exponential Relationships Capturing Atomistic Short-Range Repulsion from the Interacting Quantum Atoms (IQA) Method

2016 ◽  
Vol 120 (48) ◽  
pp. 9647-9659 ◽  
Author(s):  
Alex L. Wilson ◽  
Paul L. A. Popelier
Keyword(s):  
Short Range ◽  
Short Range Repulsion ◽  
Interacting Quantum Atoms

scholarly journals Adsorption in Mixtures with Competing Interactions

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4532
Author(s):  
Marek Litniewski ◽  
Alina Ciach
Keyword(s):  
Short Range ◽  
Selective Adsorption ◽  
Similar Amount ◽  
Particle Interactions ◽  
Near Surface ◽  
Gas Density ◽  
Short Range Repulsion ◽  
Adsorbed Layers ◽  
Dynamics Simulations ◽  
Oppositely Charged

A binary mixture of oppositely charged particles with additional short-range attraction between like particles and short-range repulsion between different ones in the neighborhood of a substrate preferentially adsorbing the first component is studied by molecular dynamics simulations. The studied thermodynamic states correspond to an approach to the gas–crystal coexistence. Dependence of the near-surface structure, adsorption and selective adsorption on the strength of the wall–particle interactions and the gas density is determined. We find that alternating layers or bilayers of particles of the two components are formed, but the number of the adsorbed layers, their orientation and the ordered patterns formed inside these layers could be quite different for different substrates and gas density. Different structures are associated with different numbers of adsorbed layers, and for strong attraction the thickness of the adsorbed film can be as large as seven particle diameters. In all cases, similar amount of particles of the two components is adsorbed, because of the long-range attraction between different particles.

On the single-particle-energy spectrum of a Λ particle in nuclear matter

1970 ◽  
Vol 48 (23) ◽  
pp. 2804-2808 ◽  
Author(s):  
K. F. Chong ◽  
Y. Nogami ◽  
E. Satoh
Keyword(s):  
Energy Spectrum ◽  
Nuclear Matter ◽  
Single Particle ◽  
Short Range ◽  
Particle Energy ◽  
Pair Approximation ◽  
Single Particle Energy ◽  
Short Range Repulsion ◽  
Separable Potentials ◽  
Independent Pair

The single-particle-energy spectrum of a Λ particle in nuclear matter is examined in the independent-pair approximation, by assuming nonlocal separable potentials for the ΛN interaction. Effects of short-range repulsion in the ΛN interaction on the Λ binding are also examined in terms of separable potentials of rank two.

KINETIC EQUATION FOR A GAS WITH LONG-RANGE ATTRACTION

1967 ◽  
Vol 45 (11) ◽  
pp. 3555-3567 ◽  
Author(s):  
R. A. Elliott ◽  
Luis de Sobrino
Keyword(s):  
Kinetic Equation ◽  
Long Range ◽  
Short Range ◽  
Kinetic Equations ◽  
Perturbation Expansion ◽  
Interparticle Distance ◽  
Range Interaction ◽  
Short Range Repulsion ◽  
Self Consistent Field ◽  
Range Force

A classical gas whose particles interact through a weak long-range attraction and a strong short-range repulsion is studied. The Liouville equation is solved as an infinite-order perturbation expansion. The terms in this series are classified by Prigogine-type diagrams according to their order in the ratio of the range of the interaction to the average interparticle distance. It is shown that, provided the range of the short-range force is much less than the average interparticle distance which, in turn, is much less than the range of the long-range force, the terms can be grouped into two classes. The one class, represented by chain diagrams, constitutes the significant contributions of the short-range interaction; the other, represented by ring diagrams, makes up, apart from a self-consistent field term, the significant contributions from the long-range force. These contributions are summed to yield a kinetic equation. The orders of magnitude of the terms in this equation are compared for various ranges of the parameters of the system. Retaining only the dominant terms then produces a set of eight kinetic equations, each of which is valid for a definite range of the parameters of the system.

Divergent sum rules and universality of short-range repulsion

1967 ◽  
Vol 51 (3) ◽  
pp. 878-881 ◽  
Author(s):  
V. V. Serebryakov ◽  
D. V. Shirkov
Keyword(s):  
Short Range ◽  
Sum Rules ◽  
Short Range Repulsion

scholarly journals Computer simulation of short-range repulsion between supported phospholipid membranes

2006 ◽  
Vol 1 (1) ◽  
pp. 40-49 ◽  
Author(s):  
Alexander Pertsin ◽  
Dmitry Platonov ◽  
Michael Grunze
Keyword(s):  
Computer Simulation ◽  
Short Range ◽  
Phospholipid Membranes ◽  
Short Range Repulsion

Application of a Chemical Thermodynamic Model to the Gibbs Free Energy of Aqueous Electrolyte Solutions. New Equations for the Activity and Osmotic Coefficients

1991 ◽  
Vol 44 (9) ◽  
pp. 1195
Author(s):  
JV Leyendekkers
Keyword(s):  
Free Energy ◽  
Gibbs Free Energy ◽  
Short Range ◽  
Van Der Waals ◽  
Osmotic Coefficients ◽  
Electrolyte Solutions ◽  
Solute Concentration ◽  
Volume Effect ◽  
Chemical Thermodynamic ◽  
Short Range Repulsion

The chemical thermodynamic (CT) model, based on the extended Tait equation, has been applied to the Gibbs free energy of aqueous solutions of sodium chloride and potassium chloride at 25°C. Equations for the activity and osmotic coefficients were derived. These are made up of the Debye-Huckel limiting slope term, a van der Waals co-volume effect term covering short-range repulsion, a term covering the water compression by the solute and a short-range attractive term. The distance of closest approach derived from the model is the same as that expected for the van der Waals effect. The individual components of the partial molal free energy, that is, the effects of solute concentration on the water and solute respectively, have been calculated.

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