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

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conference contribution
posted on 2009-01-01, 00:00 authored by Weimin Gao, Fenghua She, Lingxue KongLingxue Kong, Peter HodgsonPeter Hodgson
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.

History

Event

IWA Specialised Membrane Technology Conferences for Water and Wastewater Treatment (5th : 2009 : Beijing, China)

Publisher

Tsinghua University

Location

Beijing, China

Place of publication

Beijing, China

Start date

2009-09-01

End date

2009-09-03

Language

eng

Notes

Original research workEvery 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

Publication classification

E2 Full written paper - non-refereed / Abstract reviewed

Title of proceedings

5th IWA Specialised Membrane Technology Conferences for Water and Wastewater Treatment

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