Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/36156
Title: Molecular Simulation of Gas Permeation and Separation in Polymer Membranes
Authors: FANG WEIJIE
Keywords: molecular simulation, polymer membrane, gas permeation and separation, polymer of intrinsic microporosity, polymerized ionic liquid
Issue Date: 30-Jul-2012
Source: FANG WEIJIE (2012-07-30). Molecular Simulation of Gas Permeation and Separation in Polymer Membranes. ScholarBank@NUS Repository.
Abstract: Polymer membrane-based gas separation has been widely used in industries in the worldwide. It is anticipated that polymer membranes will contribute towards the development of new energy and environmental technologies. With the rapid development of computer sciences, molecular simulation has been a powerful tool to investigate deep insight into the microscopic phenomena such as gas-membrane interactions or penetrant transport mechanism, which is difficult or impossible for experiments to achieve. Furthermore, it is crucial to unveil the relations between polymer structure and its properties. In this thesis, molecular dynamics (MD) and Monte Carlo (MC) simulations have been used to explore the gas permeation and separation in polymer membranes. Through molecular simulation, this thesis aims to elucidate gas permeation and separation in two classes of newly synthesized polymer membranes, namely polymers of intrinsic microporosity (PIMs) and polymerized ionic liquids (PILs), which have recently attracted considerable interest because of their unique structures and properties.
URI: http://scholarbank.nus.edu.sg/handle/10635/36156
Appears in Collections:Ph.D Theses (Open)

Show full item record
Files in This Item:
File Description SizeFormatAccess SettingsVersion 
Fang Weijie_PhD Thesis_ChBE_2012 .pdf3.56 MBAdobe PDF

OPEN

NoneView/Download

Page view(s)

266
checked on Dec 11, 2017

Download(s)

424
checked on Dec 11, 2017

Google ScholarTM

Check


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.