Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
Phys Chem Chem Phys. 2009 Oct 14;11(38):8614-9. doi: 10.1039/b903541a. Epub 2009 Jul 22.
We investigated the effect of the electric field on single-file reverse osmosis (RO) water flux using molecular dynamics simulations. The electric field is generated by introducing oppositely charged biomolecules to the salt solution and pure water chambers attached to the nanopore. Simulation results indicate that an electric field in the direction of RO enhances the water flux while in the direction opposite to RO it suppresses the water flux. When the RO water flux is enhanced, the single-file water dipoles are aligned in the direction of the electric field. The addition of an electric field in the direction of RO led to a flux of 3 water molecules ns(-1) by constantly maintaining water dipole vectors in the direction of the electric field, and this water flux is superimposed on the pressure driven water flux.
我们通过分子动力学模拟研究了电场对单分子反渗透(RO)水通量的影响。电场是通过在盐溶液和与纳米孔相连的纯水腔室中引入带相反电荷的生物分子产生的。模拟结果表明,RO 方向的电场增强了水通量,而与 RO 相反方向的电场则抑制了水通量。当 RO 水通量增强时,单分子水偶极子沿电场方向排列。在 RO 方向施加电场会导致 3 个水分子 ns(-1) 的通量,这是通过不断将水偶极子矢量保持在电场方向上实现的,并且这种水通量叠加在压力驱动的水通量上。