Density functional theory and demixing of binary hard-rod–polymer mixtures

2003/10/31 by P. Bryk, Paweł Bryk · 1 citation
Chemical Engineering · Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Thermodynamic properties of mixtures #cond-mat.stat-mech

paper · pdf · doi:10.1103/physreve.68.062501

published as Phys. Rev. E, 68, 062501 (2003) · 4 pages,2 figures, in press, PRE

arxiv created 2003/10/31 · openalex publication_date 2003/12/24 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

A density functional theory for a mixture of hard rods and polymers modeled as chains built of hard tangent spheres is proposed by combining the functional due to Yu and Wu for the polymer mixtures [J. Chem. Phys. 117, 2368 (2002)] with Schmidt's functional [Phys. Rev. E 63, 50 201 (2001)] for rod-sphere mixtures. As a simple application of the functional, the demixing transition into polymer-rich and rod-rich phases is examined. When the chain length increases, the phase boundary broadens and the critical packing fraction decreases. The shift of the critical point of a demixing transition is most noticeable for short chains.

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