Structural and thermodynamic properties of a multicomponent freely jointed hard sphere multi-Yukawa chain fluid
نویسندگان
چکیده
YURIJ V. KALYUZHNYI*, CLARE MCCABE, PETER T. CUMMINGS and GEORGE STELL Institute for Condensed Matter Physics, Svientsitskoho 1, 79011 Lviv, Ukraine Department of Chemical Engineering, University of Tennessee, TN, Knoxville 37996-2200 , USA and Department of Chemical Engineering, Colorado School of Mines, Golden, CO 80401, USA Departments of Chemical Engineering, Chemistry and Computer Science, University of Tennessee, Knoxville 37996-2200 , TN USA and Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6110 , USA Department of Chemistry, State University of New York at Stony Brook, New York 11794-3400 , USA
منابع مشابه
Solution of the mean spherical approximation for polydisperse multi-Yukawa hard-sphere fluid mixture using orthogonal polynomial expansions.
The Blum-Hoye [J. Stat. Phys. 19 317 (1978)] solution of the mean spherical approximation for a multicomponent multi-Yukawa hard-sphere fluid is extended to a polydisperse multi-Yukawa hard-sphere fluid. Our extension is based on the application of the orthogonal polynomial expansion method of Lado [Phys. Rev. E 54, 4411 (1996)]. Closed form analytical expressions for the structural and thermod...
متن کاملPhase coexistence in the hard-sphere Yukawa chain fluid with chain length polydispersity: dimer thermodynamic perturbation theory.
An extension of the dimer version of Wertheim's thermodynamic perturbation theory is proposed and used to treat polydisperse mixture of the hard-sphere Yukawa chain fluid with chain length polydispersity. The structure and thermodynamic properties of the reference system, represented by multicomponent mixture of the Yukawa hard-sphere dimers, are described using polymer mean spherical approxima...
متن کاملA Hard Convex Core Yukawa Equation of State for Nonassociated Chain Molecules
The compressibility factor of nonassociated chain molecules composed of hard convex core Yukawa segments was derived with SAFT-VR and an extension of the Barker-Henderson perturbation theory for convex bodies. The temperature-dependent chain and dispersion compressibility factors were derived using the Yukawa potential. The effects of temperature, packing fraction, and segment number on the com...
متن کاملEquation of state and liquid-vapor equilibria of one- and two-Yukawa hard-sphere chain fluids: theory and simulation.
The accuracy of several theories for the thermodynamic properties of the Yukawa hard-sphere chain fluid are studied. In particular, we consider the polymer mean spherical approximation (PMSA), the dimer version of thermodynamic perturbation theory (TPTD), and the statistical associating fluid theory for potentials of variable attractive range (SAFT-VR). Since the original version of SAFT-VR for...
متن کاملPii: S0378-3812(01)00661-6
The hard-sphere Yukawa chain (HSYC) fluid is a simple model for chain fluids and polymers in which each molecule is composed of freely-jointed tangent spheres. The spheres each have a hard core and an attractive interaction, written as a single Yukawa potential or as a sum of Yukawa potentials. We have calculated the phase equilibria and PVT behaviour of the HSYC fluid both theoretically and by...
متن کامل