Collective diffusion model for water permeation through microscopic channels.
Collective diffusion model for water permeation through microscopic channels.
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DOI：
10.1103/physrevlett.93.224501
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发表时间：
2004-11
影响因子：
8.6
通讯作者：
Fangqiang Zhu;E. Tajkhorshid;K. Schulten
中科院分区：
文献类型：
--
作者：
Fangqiang Zhu;E. Tajkhorshid;K. Schulten
水通过纳米通道的渗透通常是一个耦合的多体过程，在本研究中被描述为一个单一的集体坐标。提出了一种集体扩散模型，其中平衡状态下的水运动被描述为沿该坐标的无偏扩散，而存在化学位差的水输运被描述为线性势中的一维扩散。该模型允许人们从平衡模拟中确定水通道的渗透渗透率。
Water permeation through nanometric channels, generally a coupled many-body process, is described in this study by a single collective coordinate. A collective diffusion model is proposed in which water movement at equilibrium is characterized as an unbiased diffusion along this coordinate and water transport in the presence of a chemical potential difference is described as one-dimensional diffusion in a linear potential. The model allows one to determine the osmotic permeability of a water channel from equilibrium simulations.