Recent advances on the structure–properties relationship of multiblock copolymers
GP Baeza - Journal of Polymer Science, 2021 - Wiley Online Library
Multiblock copolymers represent a fascinating class of materials that sits at the very heart of
industrial applications and fundamental polymer science. They are most often made of a …
industrial applications and fundamental polymer science. They are most often made of a …
The Z1+ package: Shortest multiple disconnected path for the analysis of entanglements in macromolecular systems
This paper describes and provides Z1+, the successor of the Z-and Z1-codes for topological
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …
Polymer crystallization under external flow
The general aspects of polymer crystallization under external flow, ie, flow-induced
crystallization (FIC) from fundamental theoretical background to multi-scale characterization …
crystallization (FIC) from fundamental theoretical background to multi-scale characterization …
Linear, Star, Comb, and Ring Crystallizable Multiblock Copolymers Investigated by Molecular Dynamics Simulations
J Morthomas, V Viola, V Vallejo-Otero… - Macromolecules, 2023 - ACS Publications
We use coarse-grained molecular dynamics simulations to study the impact of the chain
topology on the structure and thermal and mechanical properties of crystallizable multiblock …
topology on the structure and thermal and mechanical properties of crystallizable multiblock …
Mechanistic Understanding of Sticker Aggregation in Supramolecular Polymers: Quantitative Insights from the Plateau Modulus of Triblock Copolymers
Quantifying the impact of associative group aggregation on the mechanical properties of
dense supramolecular networks remains a challenging problem. To address this question …
dense supramolecular networks remains a challenging problem. To address this question …
Phase separation kinetics of block copolymer melts confined under moving parallel walls: A DPD study
We use dissipative particle dynamics (DPD) simulations to study the effect of shear on
domain morphology and kinetics of microphase separating critical diblock copolymer (BCP) …
domain morphology and kinetics of microphase separating critical diblock copolymer (BCP) …
Coarse-grained dynamics simulation in polymer systems: From structures to material properties
H Gao, R Shi, Y Zhu, H Qian, Z Lu - Chemical Research in Chinese …, 2022 - Springer
Polymers are widely used in our daily life and industry because of their intrinsic
characteristics, such as multi-functionality, low cost, light mass, ease of processability, and …
characteristics, such as multi-functionality, low cost, light mass, ease of processability, and …
Development of Coarse-Grained Models for Poly (4-vinylphenol) and Poly (2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding
In this paper, we identify the modifications needed in a recently developed generic coarse-
grained (CG) model that captured directional interactions in polymers to specifically …
grained (CG) model that captured directional interactions in polymers to specifically …
Enhanced nucleation of bimodal molecular weight distribution polymers: A molecular dynamics study
We perform coarse-grained molecular dynamics (CGMD) simulations to study the
homogeneous nucleation of bimodal and unimodal molecular weight distribution polymers …
homogeneous nucleation of bimodal and unimodal molecular weight distribution polymers …
Effect of block length on the network connectivity and temperature resistance of model, soft thermoplastic elastomers
S Sbrescia, P Nicolella, T Engels, M Seitz - Journal of Rheology, 2022 - pubs.aip.org
We discuss the connection between high-temperature mechanics, block structure, and
composition of a model series of industrially relevant, soft, thermoplastic elastomers (TPEs) …
composition of a model series of industrially relevant, soft, thermoplastic elastomers (TPEs) …