Spatio-temporal heterogeneities in nanosegregated single-molecule polymeric nanoparticles

被引:6
作者
Bacova, Petra [1 ]
Glynos, Emmanouil [2 ]
Anastasiadis, Spiros H. [2 ,3 ]
Harmandaris, Vagelis [1 ,4 ]
机构
[1] Fdn Res & Technol Hellas FORTH, Inst Appl & Computat Math IACM, GR-70013 Iraklion, Crete, Greece
[2] Fdn Res & Technol Hellas FORTH, Inst Elect Struct & Laser, GR-70013 Iraklion, Crete, Greece
[3] Univ Crete, Dept Chem, GR-70013 Iraklion, Crete, Greece
[4] Univ Crete, Dept Math & Appl Math, GR-70013 Iraklion, Crete, Greece
关键词
UNITED-ATOM DESCRIPTION; TRANSFERABLE POTENTIALS; SEGMENTAL DYNAMICS; PHASE-EQUILIBRIA; POLYSTYRENE; BLENDS; SIMULATIONS; SEGREGATION; COPOLYMERS; RELAXATION;
D O I
10.1039/d0sm00079e
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
The study of the coupling between structural and dynamical heterogeneities in nanostructured systems is essential for the design of hybrid materials with the desired properties. Here, we use atomistic molecular dynamics simulations to closely examine the dynamical heterogeneities in nanostructured single-molecule nanoparticles consisting of mikto-arm star copolymers with poly(ethylene oxide), PEO, and polystyrene, PS, arms. The particles exhibit an internally nanostructured morphology, resembling either "Janus-like'' or "patchy-like'' morphology when the functionality of the stars varies. The differences in the local environment result in strong intramolecular dynamical heterogeneities. In the proximity of the star core, geometric constraints promote unfavorable PEO:PS contacts that lead to a behavior similar to dynamically asymmetric miscible polymer blends or disordered copolymers. In contrast, further away from the core, the nanosegregation induces segmental dynamics very similar to the one found in the homopolymer star analogues.
引用
收藏
页码:4584 / 4590
页数:7
相关论文
共 37 条
[1]   Nanostructuring Single-Molecule Polymeric Nanoparticles via Macromolecular Architecture [J].
Bacova, Petra ;
Glynos, Emmanouil ;
Anastasiadis, Spiros H. ;
Harmandaris, Vagelis .
ACS NANO, 2019, 13 (02) :2439-2449
[2]   Effect of macromolecular architecture on the self-assembly behavior of copolymers in a selective polymer host [J].
Bacova, Petra ;
Foskinis, Romanos ;
Glynos, Emmanouil ;
Rissanou, Anastassia N. ;
Anastasiadis, Spiros H. ;
Harmandaris, Vagelis .
SOFT MATTER, 2018, 14 (47) :9562-9570
[3]   Dynamics of Branched Polymers: A Combined Study by Molecular Dynamics Simulations and Tube Theory [J].
Bacova, Petra ;
Hawke, Laurence G. D. ;
Read, Daniel J. ;
Moreno, Angel J. .
MACROMOLECULES, 2013, 46 (11) :4633-4650
[4]  
Bicerano J., 2001, Encyclopedia of Polymer Science and Technology, V2, P655
[5]   Intramolecular janus segregation of a heteroarm star copolymer [J].
Chang, Y ;
Chen, WC ;
Sheng, YJ ;
Jiang, SY ;
Tsao, HK .
MACROMOLECULES, 2005, 38 (14) :6201-6209
[6]   GLASS-TRANSITION DYNAMICS IN A COMPATIBLE BLEND BY 2-DIMENSIONAL SOLID-STATE NMR [J].
CHIN, YH ;
ZHANG, C ;
WANG, P ;
INGLEFIELD, PT ;
JONES, AA ;
KAMBOUR, RP ;
BENDLER, JT ;
WHITE, DM .
MACROMOLECULES, 1992, 25 (12) :3031-3038
[7]   Structure and dynamical intra-molecular heterogeneity of star polymer melts above glass transition temperature [J].
Chremos, Alexandros ;
Glynos, Emmanouil ;
Green, Peter F. .
JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (04)
[8]   Modeling the segmental relaxation time distribution of miscible polymer blends: Polyisoprene/poly(vinylethylene) [J].
Colby, RH ;
Lipson, JEG .
MACROMOLECULES, 2005, 38 (11) :4919-4928
[9]   BREAKDOWN OF TIME TEMPERATURE SUPERPOSITION IN MISCIBLE POLYMER BLENDS [J].
COLBY, RH .
POLYMER, 1989, 30 (07) :1275-1278
[10]   Modeling of aqueous poly(oxyethylene) solutions: 1. Atomistic Simulations [J].
Fischer, Jan ;
Paschek, Dietmar ;
Geiger, Alfons ;
Sadowski, Gabriele .
JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (08) :2388-2398