نتایج جستجو برای: effective pair potential
تعداد نتایج: 1765452 فیلتر نتایج به سال:
In this paper the density and temperature dependencies of surface tension are investigated. Using the Lennard-Jones (12,6), as an effective pair interaction potential, a linear expression is derived for isotherms of g /r2 versus r2 for some normal and ChloroFluoroCarbons (CFCs)</...
The understanding of the intermolecular pair potential is important for determining the physical andchemical properties of the matter. The new data for noble gasses was calculated with Soft-CoreDouble Yukawa Potential (SCDY). We studied the effect of the Soft- Core potential on the phasebehavior with Hartree-Fock-Dispersion (HFD) Potential. This model had a steep repulsionexponential term and d...
In this study, a temperature-dependent of the dispersion coefficients is calculated from equation state.The Lennard-Jones LJ (12-6-3) effective pair potential function and simple thermodynamic argumentwith the input PVT data of liquid metals are used to calculate the dispersion coefficients. The dispersioncoefficients ( , , ) 3 6 12 C C C are found to be a linear function of 1/T1+α , where T is...
c l a s s M C A b s t r a c t O b j e c t { p u b l i c : / / D o a l o c a l m o n t e c a r l o s t e p . / / R e t u r n t r u e i f t h e s t e p w a s a c c e p t e d , f a l s e o t h e r w i s e . v i r t u a l b o o l s t e p ( ) = 0 ; } ; / / A b s t r a c t b a s e c l a s s f o r M C r u n s . c l a s s M C A b s t r a c t R u n { t y p e d e f v e c t o r < M C A b s t r a c t O b j...
This study aims to answer the following research question: compared to solo programming, is pair programming a more cost effective method for developing software? This paper proposes a research model based on theories and previous empirical studies. It discusses a multi-study approach to address the question in hand. The first study is a survey of practitioners in regards to their experience an...
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...
The vapor–liquid coexistence densities, vapor pressure, and heat of vaporization of hydrogen fluoride ~HF! is calculated via Monte Carlo simulation from three intermolecular potential models that are found in the literature. The first is a pure pair potential based solely on ab initio data, the second is a semi-empirical pair potential which uses an ab initio derived surface fitted with dimer s...
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