364707 Simulation-Aided Characterization of Biomimetic Separation Membrane for Water Purification

Thursday, November 20, 2014: 2:43 PM
302 (Hilton Atlanta)
Ali Alshami, University of North Dakota, Grand Forks, ND

Water desalination is a process of great technological importance that is carried out with remarkable efficiency in living cells via the membrane proteins Aquaporin.  This study presents results from an investigation carried out on Aquaporin-1 (AQP1) protein using molecular dynamics (MD) simulation. An initial result reported here addresses the theory of water molecules permeation through AQP1 and the difference between osmotic permeability pf and diffusion permeability pd of a single-file water channel.   Chemical potential difference of water established across the AQP1 channel resulted with a pf of 6.3 x 10-14 cm3/s.  Equilibrium MD simulation runs resulted with a calculated pd of 5.7 x 10-15 cm3/s.  Reported values for pd and pf, both are in close agreement with observation, are of prime importance for future membrane design and scale-up for water desalination purposes.

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See more of this Session: Bioinspired Membranes and Membrane Processes
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