Pair Distribution Function of a Square-Well Fluid
نویسندگان
چکیده
The properties of the ground state of liquid He are studied using a correlated basis function of the form ∏ i<j ψ(rij). Here, ψ(r) is chosen as the exact solution of the Schrödinger equation for two He atoms. A hard-sphere plus an attractive square well is used as the interaction potential between He atoms. The pair distribution function is calculated using approximate integral methods, namely the Percus-Yevick (PY) equation and Hypernetted Chain (HNC) approximation. The values thus obtained are used to calculate the ground state energy, which is found to be −4.886 K using the PY equation. The liquid structure factor is also obtained using the pair distribution function. The values for the pair distribution function and liquid structure factor are compared with experimental results and earlier theoretical calculations.
منابع مشابه
Analytic Equation of State for the Square-well Plus Sutherland Fluid from Perturbation Theory
Analytic expressions were derived for the compressibility factor and residual internal energy of the square-well plus Sutherland fluid. In this derivation, we used the second order Barker-Henderson perturbation theory based on the macroscopic compressibility approximation together with an analytical expression for radial distribution function of the reference hard sphere fluid. These properties...
متن کاملA Three-Coefficient Model with Global Optimization for Heavy End Characterization of Gas Condensate PVT Data
Characterization of heavy end, as plus fraction, is among the most crucial steps in predicting phase behavior of a hydrocarbon fluid system. Proper selection of single carbon number (SCN) distribution function is essential for heavy end characterization. The SCN distribution function is subject to fluid nature. The exponential distribution function has been and is widely applied to gas condensa...
متن کاملNumerical Meshless Method in Conjunction with Bayesian Theorem for Electrical Tomography of Concrete
Electric potential measurement technique (tomography) was introduced as a nondestructive method to evaluate concrete properties and durability. In this study, numerical meshless method was developed to solve a differential equation which simulates electric potential distribution for concrete with inclusion in two dimensions. Therefore, concrete samples with iron block inclusion in different loc...
متن کاملRelativistic Stellar Models with Quadratic Equation of State
In this paper, we have obtained and presented new relativistic stellar configurations considering an anisotropic fluid distribution with a charge distribution and a gravitational potential Z(x) that depends on an adjustable parameter. The quadratic equation of state based on Feroze and Siddiqui viewpoint is used for the matter distribution. The new solutions can be written in terms of elementar...
متن کاملInvestigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2009