星形聚合物熔体的软特征:从线状链到不可穿透的纳米粒子《Nano Letters》Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles发表时间:2023-03-10 15:48来源:《Nano Letters》 Soft Character of Star-Like Polymer Melts: From Linear-Like Chains to Impenetrable Nanoparticles Petra Bačová*, Eirini Gkolfi, and Vagelis Harmandaris* Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica, Facultad de Ciencias, IMEYMAT, Campus Universitario Río San Pedro s/n., 11510Puerto Real, Cádiz, Spain Computation-based Science and Technology Research Center, The Cyprus Institute, 20 Constantinou Kavafi Str., 2121Nicosia, Cyprus Institute of Applied and Computational Mathematics, Foundation for Research and Technology Hellas, GR-70013Heraklion, Crete, Greece Nano Lett. 2023, 23, 4, 1608–1614 Publication Date: January 9, 2023 https://doi.org/10.1021/acs.nanolett.2c04213 Abstract The importance of microscopic details in the description of the behavior of polymeric nanostructured systems, such as hairy nanoparticles, has been lately discussed via experimental and theoretical approaches. Here we focus on star polymers, which represent well-defined soft nano-objects. By means of atomistic molecular dynamics simulations, we provide a quantitative study about the effect of chemistry on the penetrability of star polymers in a melt, which cannot be considered by generic coarse-grained models. The “effective softness” estimated for two dissimilar polymers is confronted with available literature data. A consistent picture about the star penetrability can be drawn when the star internal packing is taken into consideration besides the number and the length of the star arms. These findings, together with the recently introduced two-layer model, represent a step forward in providing a fundamental understanding of the soft character of stars and guiding their design toward advanced applications, such as in all-polymer nanocomposites. KEYWORDS: SUBJECTS: |