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 Linear Polymers under Good-Solvent Conditions / D'Adamo, Giuseppe; Pelissetto, Andrea; Pierleoni, Carlo. - In: MACROMOLECULES. - ISSN 0024-9297. - STAMPA. - 49:14(2016), pp. 5266-5280. [10.1021/acs.macromol.6b00600]
Phase Diagram and Structure of Mixtures of Large Colloids and Linear Polymers under Good-Solvent Conditions
D'ADAMO, GIUSEPPE;PELISSETTO, Andrea
;PIERLEONI, Carlo
2016
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.File | Dimensione | Formato | |
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