Controlling Degradation and Erosion of Polymer Networks: Insights from Mesoscale Modeling

2021 ◽  
Author(s):  
Vaibhav Palkar ◽  
Olga Kuksenok
Keyword(s):  
Polymer Networks ◽  
Mesoscale Modeling

Crosslinker Chemistry Determines the Uptake Potential of Perfluorinated Alkyl Substances by β-Cyclodextrin Polymers

2018 ◽  
Author(s):  
Leilei Xiao ◽  
Casey Ching ◽  
Yuhan Ling ◽  
Mohammadreza Nasiri ◽  
Max Justin Klemes ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Polymer Networks ◽  
Cyclodextrin Polymer ◽  
Perfluorinated Alkyl Substances ◽  
Cyclodextrin Polymers

This work describes several crosslinked β-cyclodextrin polymer networks and correlates the crosslinker chemistry with binding affinity for per- and polyfluorinated alkyl substances (PFASs), including PFOA and PFOS.

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin Evans ◽  
William Dichtel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

Mesoscale Modeling of the Atmosphere and Aerosols

2000 ◽  
Author(s):  
Douglas Westphal
Keyword(s):  
Mesoscale Modeling

scholarly journals Multifunctionality in Polymer Networks by Dynamic of Coordination Bonds

2021 ◽  
Vol 222 (3) ◽  
pp. 2170005
Author(s):  
Pengfei Zhang ◽  
Andraž Rešetič ◽  
Marc Behl ◽  
Andreas Lendlein
Keyword(s):  
Polymer Networks ◽  
Coordination Bonds

scholarly journals The microscopic distribution of hydrophilic polymers in interpenetrating polymer networks (IPNs) of medical grade silicone

Polymer ◽  
2021 ◽  
Vol 224 ◽  
pp. 123671
Author(s):  
Gregory N. Smith ◽  
Erik Brok ◽  
Martin Schmiele ◽  
Kell Mortensen ◽  
Wim G. Bouwman ◽  
...  
Keyword(s):  
Polymer Networks ◽  
Interpenetrating Polymer Networks ◽  
Hydrophilic Polymers ◽  
Microscopic Distribution ◽  
Medical Grade

scholarly journals Enhanced properties of well-defined polymer networks prepared by a sequential thiol-Michael - radical thiol-ene strategy (STMRT)

2021 ◽  
pp. 110440
Author(s):  
Sergio Cespedes ◽  
Rachel A. Hand ◽  
Nikola Chmel ◽  
Graeme Moad ◽  
Daniel J. Keddie ◽  
...  
Keyword(s):  
Polymer Networks ◽  
Enhanced Properties
Sign in / Sign up

Export Citation Format

Share Document