eprintid: 10565
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/01/05/65
datestamp: 2023-11-09 16:37:11
lastmod: 2023-11-09 16:37:11
status_changed: 2023-11-09 16:31:42
type: article
metadata_visibility: show
creators_name: Lock, S.S.M.
creators_name: Lau, K.K.
creators_name: Shariff, A.M.
creators_name: Yeong, Y.F.
creators_name: Bustam, M.A.
title: Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation
ispublished: pub
keywords: Binary mixtures; Bins; Electron transport properties; Gas permeability; Gases; Membranes; Molecular modeling; Molecular structure; Polymeric membranes; Polysulfones; Thin films; Transport properties; Ultrathin films, Empirical model; Gas transport properties; Molecular simulations; Polysulfone membranes; Separation performance; Simulation methodology; Simulation technique; Ultra-thin, Gas permeable membranes
note: cited By 11
abstract: Simulation technique has been employed to elucidate the effect of thickness upon confinement to gas transport properties in pure and binary mixtures within ultrathin polysulfone membranes. It is found that the gas diffusivity, solubility, and permeability are improved with increment in membrane thickness, which can be rationalized through bigger free volume in thicker polymeric membranes attributed to diminishing chains relaxation. The effect is found to be exceptionally perceptible in thinner polymeric films beneath 400 à . Accuracy of the simulation methodology has been validated by demonstrating good accordance with actual gas permeability data. As for binary condition, the gas transport properties are demonstrated to be comparatively lower than its pure counterpart due to competitive sorption and barrier for diffusion in the presence of secondary gas molecules. In addition, quantitative re-evaluation of published correlations and establishment of new empirical models have been conducted to associate membrane thickness effect to gas transport characteristics. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 131�158. © 2017 Wiley Periodicals, Inc.
date: 2018
publisher: John Wiley and Sons Inc.
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85036467247&doi=10.1002%2fpolb.24523&partnerID=40&md5=2ecccdbd17b7aa7e7d48fba9b0c6fd1a
id_number: 10.1002/polb.24523
full_text_status: none
publication: Journal of Polymer Science, Part B: Polymer Physics
volume: 56
number: 2
pagerange: 131-158
refereed: TRUE
issn: 08876266
citation:   Lock, S.S.M. and Lau, K.K. and Shariff, A.M. and Yeong, Y.F. and Bustam, M.A.  (2018) Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation.  Journal of Polymer Science, Part B: Polymer Physics, 56 (2).  pp. 131-158.  ISSN 08876266