Multiblob coarse-graining for mixtures of long polymers and soft colloids

被引:10
|
作者
Locatelli, Emanuele [1 ]
Capone, Barbara [1 ]
Likos, Christos N. [1 ]
机构
[1] Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria
来源
JOURNAL OF CHEMICAL PHYSICS | 2016年 / 145卷 / 17期
关键词
STAR POLYMERS; PHASE-SEPARATION; CLUSTER FORMATION; PARTICLES; NANOCOMPOSITES; RHEOLOGY; MACROMOLECULES; TRANSITIONS; MICROGELS; DEPLETION;
D O I
10.1063/1.4965957
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. Published by AIP Publishing.
引用
收藏
页数:10
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