Density functional theory and demixing of binary hard-rod-polymer mixtures.
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.
Bryk
P
P
Department for the Modeling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland. pawel@paco.umcs.lublin.pl
D055592:Biophysical Phenomena; D001703:Biophysics; D003102:Colloids / Q000737:chemistry; D015233:Models, Statistical; D011108:Polymers / Q000737:chemistry*; D013696:Temperature
D003102:Colloids; D011108:Polymers