Analytical Diffusion Mechanism (ADiM) model combining specular, Knudsen and surface diffusion

Journal of Membrane Science

Volumn 485, Issue , 2015, Pages 1-9

  Thornton, Aaron W ^a   Ahmed, Afsana ^a,b   Kannam, Sridhar Kumar ^c   Todd, B D ^b   Majumder, Mainak ^a   Hill, Anita J ^d  

^a MONASH UNIVERSITY   (Australia)

^b SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

^c IBM RESEARCH   (United States)

^d CSIRO   (Australia)

Author keywords

Diffusion; Membrane; Nanotube; Pore; Separation

Indexed keywords

CARBON DIOXIDE; MEMBRANES; NANOPORES; NANOTUBES; SEPARATION; SURFACE DIFFUSION; YARN;

ALIGNED NANOTUBES; CARBON DIOXIDE SEPARATION; DIFFUSION MECHANISMS; FOSSIL-FUEL PLANTS; MOLECULAR SIMULATIONS; PORE; TRANSPORT BEHAVIOUR; TRANSPORT MODELING;

DIFFUSION;

CARBON DIOXIDE; FOSSIL FUEL; NITROGEN;

ADSORPTION; ARTICLE; COMBUSTION; DENSITY; DIFFUSION; GAS PERMEABILITY; GREENHOUSE GAS; NANOPORE; POROSITY; PREDICTION; PRESSURE GRADIENT; PRIORITY JOURNAL; SIMULATION; SOLUBILITY; SUCTION; SURFACE PROPERTY; TUBE; VELOCITY;

EID: 84926033787     PISSN: 03767388     EISSN: 18733123     Source Type: Journal    
DOI: 10.1016/j.memsci.2015.03.004     Document Type: Article

References (38)

1. Skoulidas A.I., Ackerman D.M., Johnson J.K., Sholl D.S. Rapid transport of gases in carbon nanotubes. Phys. Rev. Lett. 2002, 89:185901.
2. Sholl D.S., Johnson J.K. Materials science: making high-flux membranes with carbon nanotubes. Science 2006, 312:1003-1004.
3. Jacobson M.Z. Review of solutions to global warming, air pollution, and energy security. Energy Environ. Sci. 2009, 2:148-173.
4. Knudsen M. Die Gesetze der Molekularströmung und der inneren Reibungsströmung der Gase durch Röhren. Ann. Phys. 1909, 28:75-130.
5. Thornton A.W., Furman S.A., Nairn K.M., Hill A.J., Hill J.M., Hill M.R. Analytical representation of micropores for predicting gas adsorption in porous materials. Microporous Mesoporous Mater. 2013, 167:188-197.
6. Do D.D., Do H.D., Wongkoblap A., Nicholson D. Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes. Phys. Chem. Chem. Phys. 2008, 10:7293-7303.
7. Verweij H., Schillo M.C., Li J. Fast mass transport through carbon nanotube membranes. Small 2007, 3:1996-2004.
8. Majumder M., Chopra N., Hinds B.J. Mass transport through carbon nanotube membranes in three different regimes: ionic diffusion, gas, and liquid flow. ACS Nano 2011, 5:3867.
9. Arya G., Chang H.-C., Maginn E.J. Knudsen diffusivity of a hard sphere in a rough slit pore. Phys. Rev. Lett. 2003, 91:026102.
10. Cooper S.M., Cruden B.A., Meyyappan M., Raju R., Roy S. Gas transport characteristics through a carbon nanotubule. Nano Lett. 2004, 4:377-381.
11. Breck D.W. Zeolite Molecular Sieves: Structure, Chemistry, and Use 1973, John Wiley & Sons, New York.
12. Roy S., Cooper S.M., Meyyappan M., Cruden B.A. Single component gas transport through 10nm pores: experimental data and hydrodynamic prediction. J. Membr. Sci. 2005, 253:209-215.
13. Gilliland E.R., Baddour R.F., Perkinson G.P., Sladek K.J. Diffusion on surfaces. I. Effect of concentration on the diffusivity of physically adsorbed gases. Ind. Eng. Chem. Fundam 1974, 13:95-100.
14. Tuzun R.E., Noid D.W., Sumpter B.G., Merkle R.C. Dynamics of fluid flow inside carbon nanotubes. Nanotechnology 1996, 7:241.
15. Mao Z., Sinnott S.B. A computational study of molecular diffusion and dynamic flow through carbon nanotubes. J. Phys. Chem. B 2000, 104:4618-4624.
16. Skoulidas A.I., Sholl D.S., Johnson J.K. Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes. J. Chem. Phys. 2006, 124:054708.
17. Makrodimitris K., Papadopoulos G.K., Theodorou D.N. Prediction of permeation properties of CO2 and N2 through silicalite via molecular simulations. J. Phys. Chem. B 2001, 105:777-788.
18. Dal-Cin M.M., Kumar A., Layton L. Revisiting the experimental and theoretical upper bounds of light pure gas selectivity-permeability for polymeric membranes. J. Membr. Sci. 2008, 323:299-308.
19. Heffelfinger G.S., van Swol F. Diffusion in Lennard-Jones fluids using dual control volume grand canonical molecular dynamics simulation (DCV-GCMD). J. Chem. Phys. 1994, 100:7548-7552.
20. Cracknell R.F., Nicholson D., Quirke N. Direct molecular dynamics simulation of flow down a chemical potential gradient in a slit-shaped micropore. Phys. Rev. Lett. 1995, 74:2463-2466.
21. Kannam S.K., Todd B.D., Hansen J.S., Daivis P.J. Slip length of water on graphene: limitations of non-equilibrium molecular dynamics simulations. J. Chem. Phys. 2012, 136:24705-24709.
22. Beerdsen E., Dubbeldam D., Smit B. Molecular understanding of diffusion in confinement. Phys. Rev. Lett. 2005, 95:164505.
23. Sears K., Dumee L., Schutz J., She M., Huynh C., Hawkins S., Duke M., Gray S. Recent developments in carbon nanotube membranes for water purification and gas separation. Materials 2010, 3:127-149.
24. Kim S., Jinschek J.R., Chen H., Sholl D.S., Marand E. Scalable fabrication of carbon nanotube/polymer nanocomposite membranes for high flux gas transport. Nano Lett. 2007, 7:2806-2811.
25. Holt J.K., Park H.G., Wang Y., Stadermann M., Artyukhin A.B., Grigoropoulos C.P., Noy A., Bakajin O. Fast mass transport through sub-2-nanometer carbon nanotubes. Science 2006, 312:1034-1037.
26. Yu M., Funke H.H., Falconer J.L., Noble R.D. High density, vertically-aligned carbon nanotube membranes. Nano Lett. 2009, 9:225-229.
27. Mi W., Lin Y.S., Li Y. Vertically aligned carbon nanotube membranes on macroporous alumina supports. J. Membr. Sci. 2007, 304:1-7.
28. Hinds B.J., Chopra N., Rantell T., Andrews R., Gavalas V., Bachas L.G. Aligned multiwalled carbon nanotube membranes. Science 2004, 303:62-65.
29. Barrer R.M. Permeability in relation to viscosity and structure of rubber. Trans. Faraday Soc. 1942, 38:322-330.
30. Qian D., Liu W.K., Ruoff R.S. Mechanics of C60 in nanotubes. J. Phys. Chem. B. 2001, 105:10753-10758.
31. Zheng Q., Jiang Q. Multiwalled carbon nanotubes as gigahertz oscillators. Phys. Rev. Lett. 2002, 88:045503.
32. Nicholls W., Borg M., Lockerby D., Reese J. Water transport through (7,7) carbon nanotubes of different lengths using molecular dynamics. Microfluid. Nanofluid. 2012, 12:257-264.
33. Mattia D., Calabrò F. Explaining high flow rate of water in carbon nanotubes via solid-liquid molecular interactions. Microfluid. Nanofluid. 2012, 13:125-130.
34. Sisan T., Lichter S. The end of nanochannels. Microfluid. Nanofluid. 2011, 11:787-791.
35. Merkel T.C., Lin H., Wei X., Baker R. Power plant post-combustion carbon dioxide capture: an opportunity for membranes. J. Membr. Sci. 2010, 359:126-139.
36. Robeson L.M. The upper bound revisited. J. Membr. Sci. 2008, 320:390-400.
37. Gray-Weale A.A., Henchman R.H., Gilbert R.G., Greenfield M.L., Theodorou D.N. Transition-state theory model for the diffusion coefficients of small penetrants in glassy polymers. Macromolecules 1997, 30:7296-7306.
38. de Lange R.S.A., Keizer K., Burggraaf A.J. Analysis and theory of gas transport in microporous sol-gel derived ceramic membranes. J. Membr. Sci. 1995, 104:81-100.