Fu Yingqiang, Xu Tongwen. Computer Simulation on the Transport of Ions Through a Charged Membrane by Percolation Theory: Transport of Monovalent Ions[J]. Chinese Journal of Chemical Physics , 2005, 18(3): 357-361. doi: 10.1088/1674-0068/18/3/357-361
Citation: Fu Yingqiang, Xu Tongwen. Computer Simulation on the Transport of Ions Through a Charged Membrane by Percolation Theory: Transport of Monovalent Ions[J]. Chinese Journal of Chemical Physics , 2005, 18(3): 357-361. doi: 10.1088/1674-0068/18/3/357-361

Computer Simulation on the Transport of Ions Through a Charged Membrane by Percolation Theory: Transport of Monovalent Ions

doi: 10.1088/1674-0068/18/3/357-361
Funds:  Project supported by the Natural Science Foundation of China (20106015,20376079) and National Basic Research Program of China (973 program,2003CB615700).
  • Received Date: 2004-01-09
  • The transport of monovalent ions through a charged membrane was investigated by percolation approach. Based on percolation concept and theory, the theoretical simulation was conducted for two-dimension (2D) and three-dimension (3D). The results showed that for 2D lattices there has a obviously skip or percolation threshold with charged components from 0.4 to 0.6, and for 3D lattices, such value is between 0.1-0.2. The simulative results were well conformed to those by Monto Carlo simulation for a random system. A practical charged membrane which prepared from the blends of sulphonated polyphenylene sulfide (SPPS)/poly(ether sulfone) (PES) can be considered as a 3D lattices. The experimental conductivity was related with a 3D simulation and the result showed the membrane has a transition from insulator to conductor at the ratio of charged components SPPS about 0.144. Obviously, this value falls in the range of a theoretical simulation for a 3D lattices.
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Computer Simulation on the Transport of Ions Through a Charged Membrane by Percolation Theory: Transport of Monovalent Ions

doi: 10.1088/1674-0068/18/3/357-361
Funds:  Project supported by the Natural Science Foundation of China (20106015,20376079) and National Basic Research Program of China (973 program,2003CB615700).

Abstract: The transport of monovalent ions through a charged membrane was investigated by percolation approach. Based on percolation concept and theory, the theoretical simulation was conducted for two-dimension (2D) and three-dimension (3D). The results showed that for 2D lattices there has a obviously skip or percolation threshold with charged components from 0.4 to 0.6, and for 3D lattices, such value is between 0.1-0.2. The simulative results were well conformed to those by Monto Carlo simulation for a random system. A practical charged membrane which prepared from the blends of sulphonated polyphenylene sulfide (SPPS)/poly(ether sulfone) (PES) can be considered as a 3D lattices. The experimental conductivity was related with a 3D simulation and the result showed the membrane has a transition from insulator to conductor at the ratio of charged components SPPS about 0.144. Obviously, this value falls in the range of a theoretical simulation for a 3D lattices.

Fu Yingqiang, Xu Tongwen. Computer Simulation on the Transport of Ions Through a Charged Membrane by Percolation Theory: Transport of Monovalent Ions[J]. Chinese Journal of Chemical Physics , 2005, 18(3): 357-361. doi: 10.1088/1674-0068/18/3/357-361
Citation: Fu Yingqiang, Xu Tongwen. Computer Simulation on the Transport of Ions Through a Charged Membrane by Percolation Theory: Transport of Monovalent Ions[J]. Chinese Journal of Chemical Physics , 2005, 18(3): 357-361. doi: 10.1088/1674-0068/18/3/357-361

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