Modeling Amorphous Microporous Polymers for CO2 Capture and Separations

G Kupgan, LJ Abbott, KE Hart, CM Colina - Chemical reviews, 2018 - ACS Publications
This review concentrates on the advances of atomistic molecular simulations to design and
evaluate amorphous microporous polymeric materials for CO2 capture and separations. A …

Porous molecular solids and liquids

AI Cooper - ACS central science, 2017 - ACS Publications
Until recently, porous molecular solids were isolated curiosities with properties that were
eclipsed by porous frameworks, such as metal–organic frameworks. Now molecules have …

Design and assembly of porous organic cages

Z Xu, Y Ye, Y Liu, H Liu, S Jiang - Chemical Communications, 2024 - pubs.rsc.org
Porous organic cages (POCs) represent a notable category of porous materials, showing
remarkable material properties due to their inherent porosity. Unlike extended frameworks …

Polymatic: a generalized simulated polymerization algorithm for amorphous polymers

LJ Abbott, KE Hart, CM Colina - Theoretical Chemistry Accounts, 2013 - Springer
This work presents a generalized structure generation methodology for amorphous
polymers by a simulated polymerization technique and 21-step molecular dynamics …

[HTML][HTML] Modelling sorption and transport of gases in polymeric membranes across different scales: A review

E Ricci, M Minelli, MG De Angelis - Membranes, 2022 - mdpi.com
Professor Giulio C. Sarti has provided outstanding contributions to the modelling of fluid
sorption and transport in polymeric materials, with a special eye on industrial applications …

Polymers of intrinsic microporosity (PIMs)

NB McKeown - Polymer, 2020 - Elsevier
Based on cumulative research from the past two decades, this personal perspective defines
the structurally unique features of Polymers of Intrinsic Microporosity (PIMs), which result in a …

Enhanced gas separation properties of tröger's base polymer membranes derived from pure triptycene diamine regioisomers

Z Zhu, J Zhu, J Li, X Ma - Macromolecules, 2020 - ACS Publications
Most high-performance Tröger's base (TB) polymers for gas separation membranes are
from mixed diamine isomers, and the configuration differences in the polymer chain packing …

Synthesis of a Rigid C3v‐Symmetric Tris‐salicylaldehyde as a Precursor for a Highly Porous Molecular Cube

SM Elbert, F Rominger… - Chemistry–A European …, 2014 - Wiley Online Library
The development of a synthetic approach to a C3v‐symmetric tris‐salicylaldehyde based on
triptycene is presented. The tris‐salicylaldehyde is a versatile precursor for porous …

Application of computational methods to the design and characterisation of porous molecular materials

JD Evans, KE Jelfs, GM Day, CJ Doonan - Chemical Society Reviews, 2017 - pubs.rsc.org
Composed from discrete units, porous molecular materials (PMMs) possess unique
properties not observed for conventional, extended, solids, such as solution processibility …

Gas storage in porous molecular materials

MM Deegan, MR Dworzak, AJ Gosselin… - … A European Journal, 2021 - Wiley Online Library
Molecules with permanent porosity in the solid state have been studied for decades.
Porosity in these systems is governed by intrinsic pore space, as in cages or macrocycles …