We consider a coarse-grained (CG) model with pairwise interactions, suitable to describe low-density solutions of star-branched polymers of functionality f. Each macromolecule is represented by a CG molecule with (f + 1) interaction sites, which captures the star topology. Potentials are obtained by requiring the CG model to reproduce a set of distribution functions computed in the microscopic model in the zero-density limit. Explicit results are given for f = 6, 12, and 40. We use the CG model to compute the osmotic equation of state of the solution for concentrations c such that Φp = c/c∗ = 1, where c∗ is the overlap concentration. We also investigate in detail the phase diagram for f = 40, identifying the boundaries of the solid intermediate phase. Finally, we investigate how the polymer size changes with c. For Φp less than 0.3, polymers become harder as f increases at fixed reduced concentration c/c∗. On the other hand, for Φp larger than 0.3, polymers show the opposite behavior:At fixed Φp, the larger the value of f, the larger their size reduction is.
Thermodynamics of star polymer solutions: A coarse-grained study / Menichetti, Roberto; Pelissetto, Andrea; Randisi, Ferdinando. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 146:24(2017), p. 244908. [10.1063/1.4989476]
|Titolo:||Thermodynamics of star polymer solutions: A coarse-grained study|
PELISSETTO, Andrea (Corresponding author)
|Data di pubblicazione:||2017|
|Citazione:||Thermodynamics of star polymer solutions: A coarse-grained study / Menichetti, Roberto; Pelissetto, Andrea; Randisi, Ferdinando. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 146:24(2017), p. 244908. [10.1063/1.4989476]|
|Appartiene alla tipologia:||01a Articolo in rivista|