eprintid: 8450
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/00/84/50
datestamp: 2023-11-09 16:20:21
lastmod: 2023-11-09 16:20:21
status_changed: 2023-11-09 16:12:41
type: conference_item
metadata_visibility: show
creators_name: Lock, S.S.M.
creators_name: Lau, K.K.
creators_name: Mei, I.L.S.
creators_name: Shariff, A.M.
creators_name: Yeong, Y.F.
creators_name: Bustam, A.M.
title: Molecular simulation and mathematical modelling of glass transition temperature depression induced by CO2 plasticization in Polysulfone membranes
ispublished: pub
keywords: Carbon dioxide; Glass; Membrane structures; Molecular structure; Polysulfones; Temperature, CO2 loading; Membrane matrix; Molecular simulations; Molecular spacings; Polymeric chain; Polysulfone membranes, Glass transition
note: cited By 5; Conference of 3rd and 4th International Engineering Research and Innovation Symposium, IRIS 2017 ; Conference Date: 6 May 2017 Through 7 May 2017; Conference Code:129993
abstract: A sequence of molecular modelling procedure has been proposed to simulate experimentally validated membrane structure characterizing the effect of CO2 plasticization, whereby it can be subsequently employed to elucidate the depression in glass transition temperature (Tg ). Based on the above motivation, unswollen and swollen Polysulfone membrane structures with different CO2 loadings have been constructed, whereby the accuracy has been validated through good compliance with experimentally measured physical properties. It is found that the presence of CO2 constitutes to enhancement in polymeric chain relaxation, which consequently promotes the enlargement of molecular spacing and causes dilation in the membrane matrix. A series of glass transition temperature treatment has been conducted on the verified molecular structure to elucidate the effect of CO2 loadings to the depression in Tg induced by plasticization. Subsequently, a modified Michealis-Menten (M-M) function has been implemented to quantify the effect of CO2 loading attributed to plasticization towards Tg . © Published under licence by IOP Publishing Ltd.
date: 2017
publisher: Institute of Physics Publishing
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85028663933&doi=10.1088%2f1757-899X%2f226%2f1%2f012172&partnerID=40&md5=fb9738f0fd9574c8ca614ebaed0af7df
id_number: 10.1088/1757-899X/226/1/012172
full_text_status: none
publication: IOP Conference Series: Materials Science and Engineering
volume: 226
number: 1
refereed: TRUE
issn: 17578981
citation:   Lock, S.S.M. and Lau, K.K. and Mei, I.L.S. and Shariff, A.M. and Yeong, Y.F. and Bustam, A.M.  (2017) Molecular simulation and mathematical modelling of glass transition temperature depression induced by CO2 plasticization in Polysulfone membranes.  In: UNSPECIFIED.