首页> 外文期刊>Scientific reports. >Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations
【24h】

Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations

机译:分子动力学模拟通过石墨烯膜对水渗透的影响

获取原文
           

摘要

Graphene membranes can be used for nanoscale filtration to remove atoms and are expected to be used for separation. To realize high-permeability and high-filtration performance, we must understand the flow configuration in the nanochannels. In this study, we investigated the applicability of continuum-dynamics laws to water flow through a graphene slit. We calculated the permeability of the flow through a slit using classical molecular dynamics (MD) and compared the MD simulation results for different Knudsen numbers (Kn) to predictions based on the no-slip model and slip model. Consequently, the flow through the graphene nanoslit was treated as slip flow only in the range of Kn??0.375. This study provides guidelines for the development of graphene filtration membranes.
机译:石墨烯膜可用于纳米级过滤以除去原子,并且预期用于分离。为了实现高渗透性和高滤波性能,我们必须了解纳米通道中的流量配置。在这项研究中,我们调查了连续体动力学法通过石墨烯狭缝的水流的适用性。我们使用经典分子动力学(MD)计算流过狭缝的渗透性,并将MD模拟结果与基于防滑模型和滑动模型的预测进行了不同的knudsen数(kn)。因此,通过石墨烯纳米烯的流量仅在kNα<β0.375的范围内处理。本研究规定了石墨烯过滤膜的发展指导。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号