************ The 16st Lab Seminar *************

Title : 
Computer simulations of water flux and salt permeability 
of the reverse osmosis FT-30 aromatic polyamide membrane 
Yun Luo, Edward Harder, Ron S. Faibish, Benoit Roux, 
Journal of Membrane Science 384 (2011) 1-9

Speaker : Yuichi Suzuki

Date : Tue. Mar. 6th, 4:00 pm

Abstract
The relative permeability of salt to water across an atomistic 
model of the FT-30 reverse osmosis (RO) membrane is studied 
using molecular dynamics (MD) simulations. The membrane model 
is built using a heuristic approach and gives a membrane density, 
water solubility and flux that are in good accord with the 
experimental values. The salt permeability is calculated from 
inhomogeneous solubility?diffusion theory using ion pathways 
from non-equilibrium targeted MD simulations, yielding an 
estimated salt rejection of 99.9% that is similar to the 
experimental value. The encouraging agreement with experimental 
data of FT-30 membrane suggests that MD simulations based on 
atomic models offer a useful way to support the experimental 
exploration of RO membrane development.


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