Effective Forces in Square Well and Square Shoulder Fluids
نویسندگان
چکیده
منابع مشابه
Structure and thermodynamics of square-well and square-shoulder fluids
We have reinvestigated the structural and thermodynamic properties of the squarewell and the square-shoulder system using two different theoretical frameworks, i.e., the optimized random-phase approximation and the Rogers–Young integral equation. We discuss the limits of applicability of the respective concepts and compare the results with ‘exact’ Monte Carlo simulation results and with data ob...
متن کاملTheoretical prediction of the coordination number, local composition, and pressure-volume-temperature properties of square-well and square-shoulder fluids.
By assuming a Boltzmann distribution for the molecular equilibrium between local and bulk environments, a general model is derived for the prediction of coordination numbers and local compositions of square-well and square-shoulder fluids. The model has no empirical parameter fitted from the data of square-well and square-shoulder fluids, but is valid from the low-density limit to the high-dens...
متن کاملThermal Conductivity of Square-Well Fluids
The thermal conductivity of a system consisting of square-well particles has been determined by the extension of the Enskog formula of the hard-sphere model to square-well fluid. The approach is the same as applied for the diffusion coefficients and shear viscosity of square-well fluid. The addition of an attractive part in the hard-sphere potential such as square-well potential remains insensi...
متن کاملLiquid-vapor coexistence in square-well fluids: an RHNC study
We investigate the ability of the reference hypernetted-chain integral equation to describe the phase diagram of square-well fluids with four different ranges of attraction. Comparison of our results with simulation data shows that the theory is able to reproduce with fairly good accuracy a significant part of the coexistence curve, provided an extrapolation procedure is used to circumvent the ...
متن کاملStructure and phase behavior of square-well dimer fluids
A Born–Green–Yvon integral equation approach is used to study the structure and phase behavior of a fluid of fused square-well-sphere dimers. We compute site–site distribution functions for dimers with bond lengths of L50.6s , 0.8s, and 1.0s ~where s is the hard-sphere diameter! and square-well diameters ranging from l51.25s to 2.0s over a wide range of temperature and density, and make compari...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2010
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp105145x