نتایج جستجو برای: pair potential

تعداد نتایج: 1175810  

2003
Phil Attard Ian Wark

The intrinsic Helmholtz free energy, commonly used as a basis for density functional theories, is here given explicitly as a cluster diagram expansion with density field points. Also given are explicit variational procedures for determining the chemical potential for a given density, the pair potential for a given pair correlation function, and the pair correlation function for a given pair pot...

Journal: :The Journal of chemical physics 2014
Lasse Bøhling Nicholas P Bailey Thomas B Schrøder Jeppe C Dyre

This paper investigates two conjectures for calculating the density dependence of the density-scaling exponent γ of a single-component, pair-potential liquid with strong virial potential-energy correlations. The first conjecture gives an analytical expression for γ directly in terms of the pair potential. The second conjecture is a refined version of this involving the most likely nearest-neigh...

Journal: :journal of physical & theoretical chemistry 2013
m. aghaie t. jalili

using the mixed solvents, (water +ethanol + propanol), the solubility of cdf2 was determined byevaporating method at 25° c. the results showed that the sollbility, s, of cdf2 decreases bydecreasing the dielectric constant of the mixed solvent .once the solubility of cdf2 was determined,the concentration solubility product, ksp(c)=4s3, was calculated .furthermore ,by estimating the meanactivity ...

2011
Donald P. Visco David A. Kofke

Ž . In this work, we apply the Gibbs–Duhem integration GDI technique to obtain the vapor–liquid equilibrium Ž . VLE properties of hydrogen fluoride according to three potential models. Properties examined include coexistence densities, enthalpy of vaporization, and vapor pressure. The models are representative of the various types of potentials used in simulation studies; namely, a pure pair po...

Journal: :journal of sciences, islamic republic of iran 2011
m.r. rismanchian

in this paper we introduce the concept of generalized baer-invariant of a pair of groups with respect to two varieties ? and ? of groups. we give some inequalities for the generalized baer-invariant of a pair of finite groups, when ? is considered to be the schur-baer variety. further, we present a sufficient condition under which the order of the generalized baer-invariant of a pair of finite ...

Journal: :physical chemistry and electrochemistry 0

an analytical equation of state was applied to calculate the thermodynamic properties for argon.the equation of state is that of song and mason. it is based on a statistical-mechanical perturbationtheory of the hard convex bodies and can be written as fifth-order polynomial in the density. thereexist three temperature-dependent parameters: the second virial coefficient, an effective molecularvo...

Journal: :The journal of physical chemistry. B 2005
Thomas Young Hans C Andersen

We used molecular dynamics computer simulations to test an approximate scaling principle that conjectures that two equilibrium atomic liquids have very similar dynamical properties if they have the same density and similar static pair correlation functions when the length scales of the two liquids are adjusted appropriately, even if they have different interatomic potentials and different tempe...

1996
Johannes Blümlein Edward Boos Alexander Kryukov

The scalar and vector leptoquark pair production cross sections for deep inelastic ep scattering are calculated. Estimates are presented for the search potential at HERA. Contribution to the Proceedings of the 1996 HERA Physics Workshop Leptoquark Pair Production at HERA Johannes Blümlein, Edward Boos, and Alexander Kryukov a DESY–Zeuthen, Platanenallee 6, D-15735 Zeuthen, Germany b Institute o...

M.R. Rismanchian

In this paper we introduce the concept of generalized Baer-invariant of a pair of groups with respect to two varieties ? and ? of groups. We give some inequalities for the generalized Baer-invariant of a pair of finite groups, when ? is considered to be the Schur-Baer variety. Further, we present a sufficient condition under which the order of the generalized Baer-invariant of a pair of finite ...

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