We consider three different continuum polymer models, which all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model, chains are obtained by concatenating hard spherocylinders of height b and diameter rb (we call them thick self-avoiding chains). The other two models are generalizations of the tangent hard-sphere and of the Kremer–Grest models. We show that for a specific value r∗, all models show optimal behavior: asymptotic long-chain behavior is observed for relatively short chains. For r < r , instead, the behavior can be parametrized by using the two-parameter model, which also describes the thermal crossover close to the θ point. The bonds of the thick self-avoiding chains cannot cross each other, and therefore the model is suited for the investigation of topological properties and for dynamical studies. Such a model also provides a coarse-grained description of double-stranded DNA, so that we can use our results to discuss under which conditions DNA can be considered as a model good-solvent polymer.
Polymer models with optimal good-solvent behavior / D'Adamo, Giuseppe; Pelissetto, Andrea. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - STAMPA. - 29:43(2017), p. 435104. [10.1088/1361-648X/aa8191]
Polymer models with optimal good-solvent behavior
D'Adamo, Giuseppe;Pelissetto, Andrea
2017
Abstract
We consider three different continuum polymer models, which all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model, chains are obtained by concatenating hard spherocylinders of height b and diameter rb (we call them thick self-avoiding chains). The other two models are generalizations of the tangent hard-sphere and of the Kremer–Grest models. We show that for a specific value r∗, all models show optimal behavior: asymptotic long-chain behavior is observed for relatively short chains. For r < r , instead, the behavior can be parametrized by using the two-parameter model, which also describes the thermal crossover close to the θ point. The bonds of the thick self-avoiding chains cannot cross each other, and therefore the model is suited for the investigation of topological properties and for dynamical studies. Such a model also provides a coarse-grained description of double-stranded DNA, so that we can use our results to discuss under which conditions DNA can be considered as a model good-solvent polymer.File | Dimensione | Formato | |
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