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The influence of geometry and wall character of pores on the permeation of ions and water through desalination membranes

Gao, Weimin, She, Fenghua, Kong, Lingxue and Hodgson, Peter 2009, The influence of geometry and wall character of pores on the permeation of ions and water through desalination membranes, in 5th IWA Specialised Membrane Technology Conferences for Water and Wastewater Treatment, Tsinghua University, Beijing, China, pp. ID139-ID139.

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Title The influence of geometry and wall character of pores on the permeation of ions and water through desalination membranes
Author(s) Gao, Weimin
She, Fenghua
Kong, Lingxue
Hodgson, Peter
Conference name IWA Specialised Membrane Technology Conferences for Water and Wastewater Treatment (5th : 2009 : Beijing, China)
Conference location Beijing, China
Conference dates 1-3 September 2009
Title of proceedings 5th IWA Specialised Membrane Technology Conferences for Water and Wastewater Treatment
Publication date 2009
Start page ID139
End page ID139
Publisher Tsinghua University
Place of publication Beijing, China
Keyword(s) pore geometry
chemical character
charge
molecular dynamics
Summary The transport of water and ions across mimicked nanotube membranes with pseudo atoms is studied using molecular dynamics simulations under equilibrium conditions and hydrostatic pressure. Different pore surface properties are constructed by assigning partial charges on the sites of specified atoms to explore the influence of charges and polarity. The energetics of water and ion transports through the nanopores was calculated to evaluate their filterability to water. The simulation results show that the free energy barriers to water and ion conductions much depend on the charges at the pore entrance and the dipole within the pore. The membranes with hydrophobic pores and negatively charged entrances would be very efficient in the water transport and ion rejection. The charges and dipoles of the pore wall and the aligned dipoles of water molecules in the pore can create a significant force on ions.
Notes Original research work

Every reasonable effort has been made to ensure that permission has been obtained for items included in DRO. If you believe that your rights have been infringed by this repository, please contact drosupp@deakin.edu.au
Language eng
Field of Research 090509 Water Resources Engineering
080110 Simulation and Modelling
090404 Membrane and Separation Technologies
Socio Economic Objective 960699 Environmental and Natural Resource Evaluation not elsewhere classified
HERDC Research category E2 Full written paper - non-refereed / Abstract reviewed
HERDC collection year 2009
Persistent URL http://hdl.handle.net/10536/DRO/DU:30021396

Document type: Conference Paper
Collections: Centre for Material and Fibre Innovation
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Created: Tue, 15 Dec 2009, 10:41:47 EST by Weimin Gao