• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Separation and Purification Technology >A model for nanopore gas permeation
【24h】

A model for nanopore gas permeation

机译：纳米孔气体渗透的模型

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Extended to non equilibrium systems the successful analytical approach of density functional theory provides a tool to study what factors determine high selectivity in gas separation by nanoporous membranes.Based on a consideration of the most probable molecular trajectories,the method was originally developed for basic applications in non equilibrium systems and entails a rigorous derivation of the probability distribution required to calculate non equilibrium averages and system properties.The theory is applied to the calculation of the single gas permeation through a model nanopore.The interactions between gas particles and with the pore walls modify simple diffusive transport and are a possible cause of large variations of separation factor with applied pressure gradient.For a gas,which interacts weakly with the molecules of the pore,the effective diffusivity and the adsorption are enhanced with increase in loading and the permeance increases with pressure.For strong gas/pore wall interaction,the interactions within the gas compete with adsorption and the permeance decreases with increase in loading.The gas/wall interactions also switch the temperature dependence of the permeance at low density.The analytical results can be judged against numerical simulation with identical model parameters and when used together,help to achieve a better understanding of experimental trends.
机译：扩展到非平衡系统的成功的密度泛函理论分析方法为研究哪些因素决定了纳米多孔膜气体分离的高选择性提供了一种工具。基于对最可能的分子轨迹的考虑，该方法最初是为基础应用开发的。非平衡系统，需要严格推导计算非平衡平均值和系统特性所需的概率分布。该理论适用于通过模型纳米孔计算单一气体渗透率。气体颗粒之间以及与孔壁之间的相互作用会改变简单的扩散运输，并可能是分离压力随施加的压力梯度而变化很大的原因。对于气体，它与孔隙分子的相互作用较弱，有效的扩散性和吸附性随载荷的增加而增强，渗透率随压力强，用于强气体/孔壁相互作用时，气体中的相互作用与吸附竞争，并且渗透率随载荷的增加而降低。气体/壁之间的相互作用也切换了低密度时渗透率的温度依赖性。对于相同模型参数和相同参数的数值模拟，可以判断分析结果。一起使用时，有助于更好地了解实验趋势。

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