Segregation effects in adsorption of CO2-containing mixtures and their consequences for separation selectivities in cage-type zeolites

Separation and Purification Technology

Volumn 61, Issue 3, 2008, Pages 414-423

  Krishna, R ^a   van Baten, J M ^a  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

Adsorption selectivity; CHA; CO2 separation; DDR; ERI; LTA; Permeation selectivity; Zeolite membrane

Indexed keywords

ADSORPTION; DIFFUSION; MIXTURES; SEGREGATION (METALLOGRAPHY); ZEOLITES;

ADSORPTION SELECTIVITY; PERMEATION SELECTIVITY; ZEOLITE MEMBRANES;

CARBON DIOXIDE;

EID: 44249101891     PISSN: 13835866     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.seppur.2007.12.003     Document Type: Article

References (32)

1. Li S., Falconer J.L., Noble R.D., and Krishna R. Interpreting unary, binary and ternary mixture permeation across a SAPO-34 membrane with loading-dependent Maxwell-Stefan diffusivities. J. Phys. Chem. C 111 (2007) 5075-5082
2. van den Bergh J., Zhu W., Groen J.C., Kapteijn F., Moulijn J.A., Yajima K., Nakayama K., Tomita T., and Yoshida S. Natural gas purification with a DDR zeolite membrane; permeation modelling with Maxwell-Stefan equations. Stud. Surf. Sci. Catal. 170 (2007) 1021-1027
3. 2 permeation across zeolite membranes. Ind. Eng. Chem. Res. 46 (2007) 2974-2986
4. 4 gaseous mixtures. Ind. Eng. Chem. Res. 46 (2007) 6989-6997
5. 2 through a silicalite-1 membrane. Ind. Eng. Chem. Res. 45 (2006) 767-776
6. 2 mixtures using MFI-type zeolite membranes. A.I.Ch.E.J. 50 (2004) 127-135
7. 2 separation. Microporous Mesoporous Mater. 101 (2007) 319-323
8. Myers A.L., and Prausnitz J.M. Thermodynamics of mixed gas adsorption. A.I.Ch.E.J. 11 (1965) 121-130
9. Krishna R., and van Baten J.M. Influence of segregated adsorption on mixture diffusion in DDR zeolite. Chem. Phys. Lett. 446 (2007) 344-349
10. C. Baerlocher, L.B. McCusker, Database of zeolite structures, International Zeolite Association, http://www.iza-structure.org/databases/, 26 June 2001.
11. Jaramillo E., and Auerbach S.M. New force field for Na cations in faujasite-type zeolites. J. Phys. Chem. B 103 (1999) 9589-9594
12. Calero S., Dubbeldam D., Krishna R., Smit B., Vlugt T.J.H., Denayer J.F.M., Martens J.A., and Maesen T.L.M. Understanding the role of sodium during adsorption. A force field for alkanes in sodium exchanged faujasites. J. Am. Chem. Soc. 126 (2004) 11377-11386
13. Ryckaert J.P., and Bellemans A. Molecular dynamics of liquid alkanes, Faraday Discuss. Chem. Soc. 66 (1978) 95-106
14. Frenkel D., and Smit B. Understanding molecular simulations: from algorithms to applications. 2nd edition (2002), Academic Press, San Diego
15. Dubbeldam D., Calero S., Vlugt T.J.H., Krishna R., Maesen T.L.M., and Smit B. United atom forcefield for alkanes in nanoporous materials. J. Phys. Chem. B 108 (2004) 12301-12313
16. Harris J.G., and Yung K.H. Carbon dioxide's liquid-vapor coexistence curve and critical properties as predicted by a simple molecular model. J. Phys. Chem. 99 (1995) 12021-12024
17. Murthy C.S., Singer K., Klein M.L., and McDonald I.R. Pairwise additive effective potentials for nitrogen. Mol. Phys. 41 (1980) 1387-1399
18. 2 through silicalite via molecular simulations. J. Phys. Chem. B 105 (2001) 777-788
19. Bezus A.G., Kiselev A.V., Lopatkin A.A., and Du P.Q. Molecular statistical calculation of the thermodynamic adsorption characteristics of zeolites using the atom-atom approximation. Part 1. Adsorption of methane by zeolite sodium-X. J. Chem. Soc., Faraday Trans. II 74 (1978) 367-379
20. Kiselev A.V., Lopatkin A.A., and Shul'ga A.A. Molecular statistical calculation of gas adsorption by silicalite. Zeolites 5 (1985) 261-267
21. 4 adsorption in zeolites. Adsorption 13 (2007) 469-476
22. 6 in silicalite from atomistic simulations. J. Phys. Chem. B 106 (2002) 5058-5067
23. Talu O., and Myers A.L. Reference potentials for adsorption of helium, argon, methane and krypton in high-silica zeolites. Colloids Surf. A 187/188 (2001) 83-93
24. Murthi M., and Snurr R.Q. Effects of molecular siting and adsorbent heterogeneity on the ideality of adsorption equilibria. Langmuir 20 (2004) 2489-2497
25. Krishna R., and van Baten J.M. Diffusion of hydrocarbon mixtures in MFI zeolite: influence of intersection blocking. Chem. Eng. J. 140 (2008) 614-620
26. Krishna R., and van Baten J.M. Insights into diffusion of gases in zeolites gained from molecular dynamics simulations. Microporous Mesoporous Mater. 109 (2008) 91-108
27. Krishna R., Li S., van Baten J.M., Falconer J.L., and Noble R.D. Investigation of slowing-down and speeding-up effects in binary mixture permeation across SAPO-34 and MFI membranes. Sep. Purif. Technol. 60 (2008) 230-236
28. 4 mixtures in MFI zeolite. A study linking MD simulations with the Maxwell-Stefan formulation. Langmuir 19 (2003) 7977-7988
29. Krishna R., and van Baten J.M. Diffusion of alkane mixtures in zeolites. Validating the Maxwell-Stefan formulation using MD simulations. J. Phys. Chem. B 109 (2005) 6386-6396
30. van Baten J.M., and Krishna R. Entropy effects in adsorption and diffusion of alkane isomers in mordenite: an investigation using CBMC and MD simulations. Microporous Mesoporous Mater. 84 (2005) 179-191
31. J.M. van Baten, R. Krishna, MD animations of diffusion in zeolites, University of Amsterdam, Amsterdam, http://www.science.uva.nl/research/cr/animateMD/, 30 October 2007.
32. 4 Permeation characteristics of a new type DDR zeolite membrane. Kagaku Kogaku Ronbunshu 33 (2007) 122-129