文献类型：期刊文献

英文题名：A molecular-thermodynamic model for polyelectrolyte solutions

作者：Jiang, JW; Liu, HL; Hu, Y; Prausnitz, JM

机构：[1]E China Univ Sci & Technol, Thermodynam Res Lab, Shanghai 200237, Peoples R China;[2]Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA;[3]Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA

年份：1998

卷号：108

期号：2

起止页码：780

外文期刊名：JOURNAL OF CHEMICAL PHYSICS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000071233400045)】；

语种：英文

摘要：Polyelectrolyte solutions are modeled as freely tangent-jointed, charged hard-sphere chains and corresponding counterions in a continuum medium with permitivity E. By adopting the sticky-point model, the Helmholtz function for polyelectrolyte solutions is derived through the r-particle cavity-correlation function (CCF) for chains of sticky, charged hard spheres. The r-CCF is approximated by a product of effective nearest-neighbor two-particle CCFs: these are determined from the hypernetted-chain and mean-spherical closures (HNC/MSA) inside and outside the hard core, respectively, for the integral equation theory for electrolytes. The colligative properties are given as explicit functions of a scaling parameter Gamma that can be estimated by a simple iteration procedure. Osmotic pressures, osmotic coefficients, and activity coefficients are calculated for model solutions with various chain lengths. They are in good agreement with molecular simulation and experimental results. (C) 1998 American Institute of Physics.