Multiblob coarse-graining for mixtures of long polymers and soft colloids
- Author(s)
- Emanuele Locatelli, Barbara Capone, Christos N. Likos
- Abstract
Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems invokes a reduction of the degrees of freedom to be analysed, hence requiring the introduction of an efficient, quantitative, coarse-grained description. We here report on a novel coarse graining approach based on a set of transferable potentials that quantitatively reproduces properties of mixtures of linear and star-shaped homopolymeric nanocomposites. By renormalizing groups of monomers into a single effective potential between a f-functional star polymer and an homopolymer of length N-0, and through a scaling argument, it will be shown how a substantial reduction of the to degrees of freedom allows for a full quantitative description of the system. Our methodology is tested upon full monomer simulations for systems of different molecular weight, proving its full predictive potential.
- Organisation(s)
- Computational and Soft Matter Physics
- Journal
- Journal of Chemical Physics
- Volume
- 145
- No. of pages
- 10
- ISSN
- 0021-9606
- DOI
- https://doi.org/10.1063/1.4965957
- Publication date
- 11-2016
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103015 Condensed matter
- Keywords
- ASJC Scopus subject areas
- General Physics and Astronomy, Physical and Theoretical Chemistry
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/0cb6bbde-fedd-42eb-ad96-554c58ea6eb1