Efficient Monte Carlo simulations are used to determine the liquid liquid binodal line of mixtures of hard-sphere colloids and neutral polymers under good-solvent conditions for two values of the polymer-to-colloid size ratio q, q = 0.5 and 1. We use a multiblob coarse-graining approach, in which groups of monomers are mapped onto a single pseudoatom (a blob) and blob-blob interactions are obtained by requiring the model to reproduce some large-scale properties of the polymer solution in the dilute limit. We also compute several experimentally relevant quantities at a few selected points along the binodal: thermodynamic properties (pressure, isothermal compressibility, chemical potentials), partial structure factors, and polymer form factor. Finally, we discuss how the polymers become more compact with increasing colloidal crowding.

Phase Diagram and structure of mixtures of large colloids and linea polymers under good-solvent conditions

PIERLEONI, CARLO
2016-01-01

Abstract

Efficient Monte Carlo simulations are used to determine the liquid liquid binodal line of mixtures of hard-sphere colloids and neutral polymers under good-solvent conditions for two values of the polymer-to-colloid size ratio q, q = 0.5 and 1. We use a multiblob coarse-graining approach, in which groups of monomers are mapped onto a single pseudoatom (a blob) and blob-blob interactions are obtained by requiring the model to reproduce some large-scale properties of the polymer solution in the dilute limit. We also compute several experimentally relevant quantities at a few selected points along the binodal: thermodynamic properties (pressure, isothermal compressibility, chemical potentials), partial structure factors, and polymer form factor. Finally, we discuss how the polymers become more compact with increasing colloidal crowding.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11697/106487
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