6 papers · 1 filter
Theory of associating polymers with annealed and quenched sticker disorder: Mean-field solution and phase behavior
Sofia Moschin, Achille Giacometti, Amos Maritan +1
We develop a density-functional theory for solutions of associating polymers where attractions among charged monomers (stickers) are represented by local binary degrees of freedom,…
Mesoscopic simulations of linear and ring polymer solutions with explicit hydrodynamics under good and poor solvent conditions
Ashish Kumar Singh, Angelo Rosa
We employ large-scale Dissipative Particle Dynamics simulations to investigate dilute solutions of linear polymers and unknotted, non-concatenated ring polymers in explicit solvent…
Coherent modeling of double-folded ring polymers and their underlying random tree structure
Pieter H. W. van der Hoek, Angelo Rosa, Elham Ghobadpour +1
Topologically constrained genome-like polymers often double-fold into tree-like configurations, which can be modelled on the level of folded (ring) polymers or on the level of the…
Ring polymers in two-dimensional melts double-fold around randomly branching "primitive shapes"
Mattia A. Ubertini, Angelo Rosa
Drawing inspiration from the concept of the "primitive path" of a linear chain in melt conditions, we introduce here a numerical protocol which allows us to detect, in an unambiguo…
Theory of polymers in binary solvent solutions: mean-field free energy and phase behavior
Davide Marcato, Achille Giacometti, Amos Maritan +1
We present a lattice model for polymer solutions, explicitly incorporating interactions with a bath of solvent and cosolvent molecules. By exploiting the well-known analogy between…
Phase behaviour and self-assembly of semiflexible polymers in poor-solvent solutions
Tobia Arcangeli, Tatjana Å krbiÄ, Somiealo Azote +6
Using Langevin dynamics complemented by Wang-Landau Monte Carlo simulations, we study the phase behavior of single and multiple semiflexible polymer chains in solution under poor-s…