Molecular Dynamics Simulation of Methane and Carbon Dioxide Permeation Through A Layered Inorganic Membrane
作者: Lukman HakimKarina PuspitasariRavi Mahesta
刊名: Oriental Journal of Chemistry, 2018, Vol.34 (5)
来源数据库: Material Science Research India
DOI: 10.13005/ojc/340507
关键词: Carbon DioxideGas PermeationGas SeparationInorganic MembraneMethaneMolecular Dynamics
原始语种摘要: Molecular dynamics simulations are performed to investigate the permeation and separation of methane and carbon dioxide mixture through a layered inorganic membrane at high temperature to circumvent carbon dioxide adsorption on membrane surface. The simulations show that a single layer membrane with narrow cylindrical-pore favors methane permeation over carbon dioxide. When a slit-space is present along with the cylindrical-pore in a layered inorganic membrane, the membrane can be tailored to favor carbon dioxide over methane. The comparison of the permeation rates obtained directly from simulation and those from Knudsen flow calculation highlights the prominence of molecular sieving mechanism in determining the permeation behaviors of methane and carbon dioxide through a narrow opening.
全文获取路径: 材料科学研究所 

  • carbon 
  • dioxide 二氧化物
  • permeation 渗透
  • membrane 
  • layered 成层的
  • determining 决定的
  • investigate 
  • prominence 日珥
  • narrow 狭窄的
  • tailored 简明的