On the relation between the Wertheim’s two-density integral equation theory for associating fluids and Chandler–Silbey–Ladanyi integral equation theory for site–site molecular fluids

نویسندگان

  • Yu. V. Kalyuzhnyi
  • P. T. Cummings
چکیده

It is demonstrated that Chandler–Silbey–Ladanyi integral equation theory for the site–site molecular fluids is the limiting case of complete association of more general two-density integral equation theory for associating fluids developed by Wertheim. The analysis is presented for a site–site molecular system with any number and geometrical arrangement of the sites in the molecule and arbitrary type of the site–site pair interaction. © 1996 American Institute of Physics. @S0021-9606~96!50209-4#

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Solution of the Chandler–Silbey–Ladanyi equation for the multicomponent hard-sphere site–site molecular fluid: Percus–Yevick approximation

The analytical solution of the Chandler–Silbey–Ladanyi Percus–Yevick ~CSL-PY! approximation for multicomponent molecular site–site fluids is presented. The molecules are modeled by a collection of an arbitrary number of hard-sphere sites of any size and geometrical arrangement, provided only that all sites are in contact and the bonding distance is equal to the contact distance between the site...

متن کامل

A molecular theory of liquid interfaces.

We propose a site site generalization of the Lovett-Mow-Buff-Wertheim integro-differential equation for the one-particle density distributions to polyatomic fluids. The method provides microscopic description of liquid interfaces of molecular fluids and solutions. It uses the inhomogeneous site-site direct correlation function of molecular fluid consistently constructed by nonlinear interpolati...

متن کامل

Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach

The density and polarization profiles of the dipolar hard ellipsoids confined between hard walls are studied using the density functional theory (DFT). The Hyper-Netted Chain (HNC) approximation is used to write excess grand potential of the system with respect to the bulk value. The number density is expanded up to zero and first order in polarization to find the results. For the zero order in...

متن کامل

Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids

The Percus’ test-particle method is extended to predict the interand intramolecular correlation functions of polymeric fluids using a density functional theory developed earlier @J. Chem. Phys. 117, 2368 ~2002!#. The calculated interand intramolecular distribution functions as well as the site–site correlation functions agree well with the results from Monte Carlo simulation for freely jointed ...

متن کامل

EXTENSION OF LINEAR ISOTHERM REGULARITY TO LOWER DENSITY RANGE

The general equation of state which was found for dense fluids, both compressed liquids and dense supercritical fluids, namely "Linear Isotherm Regularity," is extended to the lower density range, specifically for densities lower than the Boyle density. This new equation of state which is called "ELIR" is shown to be compatible with the equations of state based on statistical-mechanical the...

متن کامل

ذخیره 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 1996