Air separation by single wall carbon nanotubes: Mass transport and kinetic selectivity.
作者： Gaurav Arora , Stanley I. Sandler
DOI: 10.1063/1.2166373
关键词: Carbon nanotube 、 Thermal diffusivity 、 Thermodynamics 、 Membrane 、 Chemistry 、 Order of magnitude 、 Kinetic energy 、 Air separation 、 Nanotube membrane 、 Self-diffusion
摘要: Mass transport of pure nitrogen, oxygen, and their mixture (air) has been studied at 100 K in a single wall carbon nanotube 12.53 A diameter. Phenomenological coefficients, self- corrected diffusivities are calculated using molecular-dynamics simulations, obtained by combining these results with thermodynamic factors from previous grand canonical Monte Carlo simulations [G. Arora S. I. Sandler, J. Chem. Phys. 123, 044705 (2005)]. For mixtures, cross-term diffusion coefficients found to be similar order magnitude as main-term over the entire range pressure studied. These then combined continuum description mass determine ideal kinetic separation for membrane. High permeances observed both components inside nanotubes. The concentration profiles, diffusivity membrane fluxes calculated, it is demonstrated that carefully adjusting upstream downstream pressures, good selectivity can achieved air
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