Some anomalies in the self-diffusion of water in disordered carbons

Journal of Physical Chemistry C

Volumn 116, Issue 5, 2012, Pages 3667-3676

  Nguyen, Thanh X ^a   Bhatia, Suresh K ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED WATER; CARBON MODELS; CONFINEMENT EFFECTS; CRITICAL AREA; DISORDERED CARBON; ENERGY LANDSCAPE; INDUSTRIAL PROCESSS; IRREGULAR STRUCTURES; KEY MATERIALS; LARGE CLUSTERS; LOW TEMPERATURES; MEAN SQUARE DISPLACEMENT; MINIMUM VALUE; MOLECULAR DYNAMICS SIMULATIONS; NANOPOROUS CARBONS; NON-ARRHENIUS BEHAVIOR; PORE REGION; POWER LAW; REVERSE MONTE CARLO SIMULATION; SELF-DIFFUSION OF WATER; SINGLE FILE DIFFUSION; SLIT PORES; SLIT-PORE MODELS; STRUCTURAL DISORDERS; SUBDIFFUSION; TIME-DEPENDENT; WATER DYNAMICS; WATER MONOLAYERS;

CARBON NANOTUBES; COMPUTER SIMULATION; DIFFUSION; DYNAMICS; MOLECULAR DYNAMICS; MONOLAYERS; MONTE CARLO METHODS;

CARBON CAPTURE;

EID: 84856935250     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2110727     Document Type: Article

References (47)

1. Zhu, Y.; Murali, S.; Stoller, M. D.; Ganesh, K. J.; Cai, W.; Ferreira, P. J.; Pirkle, A.; Wallace, R. M.; Cychosz, K. A.; Thommes, M.; Su, D.; Stach, E. A.; Ruoff, R. S. Science 2011, 332, 1537-1541
2. Presser, V.; Heon, M.; Gogotsi, Y. Adv. Funct. Mater. 2011, 21, 810-833
3. Bhatia, S. K.; Nguyen, T. X. Ind. Eng. Chem. Res. 2011, 50, 10380-10383
4. Brennan, J. K.; Bandosz, T. J.; Thomson, K. T.; Gubbins, K. E. Colloid Surf., A 2001, 187-188, 539-568
5. Köfinger, J; Hummer, G.; Delago, C. Phys. Chem. Chem. Phys. 2011, 13, 15403-154
6. Harding, A. W.; Foley, N. J.; Norman, P. R.; Francis, D. C.; Thomas, K. M. Langmuir 1998, 14, 3858-3864
7. Fletcher, A. J.; Thomas, K. M. J. Phys. Chem. C 2007, 111, 2107-2115
8. Dubinin, M. M.; Vartapetian, R. Sh.; Voloshchuk, A. M.; Kärger, J.; Pfeifer, H. Carbon 1998, 26, 515-520
9. Heink, W.; Kärger, J.; Pfeifer, H.; Vartapetian, R. Sh.; Voloshchuk, A. M. Carbon 1993, 31, 1083-1087
10. Hirunsit, P.; Balbuena, P. B. J. Phys. Chem. C 2007, 111, 1709-1715
11. Park, J. H.; Aluru, N. R. J. Phys. Chem. C 2010, 114, 2595-2599
12. Nguyen, T. X.; Bhatia, S. K. J. Phys. Chem. C 2011, 115, 16606-16612
13. Nguyen, T. X.; Bhatia, S. K.; Jain, S. K.; Gubbins, K. E. Mol. Simul. 2006, 32, 567-577
14. Pikunic, J.; Gubbins, K. E. Eur. Phys. J. E 2003, 12, 35-40
15. Farimani, A. B.; Aluru, N. R. J. Phys. Chem. B 2011, 115, 12145-12149
16. Hahn, K.; Kärger, J. J. Phys. Chem. B 1998, 102, 5766-5771
17. Kärger, J. Mol. Sieves 2008, 329-366
18. Sholl, D. S.; Fichthorn, K. A. Phys. Rev. Lett. 1997, 79, 3569-3572
19. Mon, K. K.; Percus, J. K. J. Chem. Phys. 2002, 117, 2289-2292
20. Das, A.; Jayanthi, S.; Deepak, H. S. M. V.; Ramanathan, K. V.; Kumar, A.; Dasgupta, C.; Sood, A. K. ACS Nano 2010, 4, 1687-1695
21. Kukla, V.; Kornatowski, J.; Demuth, D.; Girnus, I.; Pfeifer, H.; Schunk, S.; Unger, K. K.; Kärger, J.; Rees, L. V. C. Science 1996, 272, 702-704
22. Salles, F.; Bourrelly, S.; Jobic, H.; Devic, T.; Guillerm, V.; Llewellyn, P.; Serre, C.; Ferey, G.; Maurin, G. J. Phys. Chem. C 2011, 115, 10764-10776
23. Nguyen, T. X.; Cohaut, N.; Bae, J.-S.; Bhatia, S. K. Langmuir 2008, 24, 7912-7922
24. Jakobtorweihen, S.; Verbeek, M. G.; Lowe, C. P.; Keil, F. J.; Smit, B. Phys. Rev. Lett. 2005, 95, 044501-044504
25. Alexiadis, A.; Kassinos, S. Chem. Rev. 2008, 108, 5014-5034
26. DL-POLY is a package of molecular simulation routines: Smith, W.; Forester, T. R. DL-POLY; The Council for the Central Laboratory of the Research Councils, Daresbury Laboratory: Daresbury, Warrington, U.K., 1996. http://www.cse.scitech.ac.uk/ccg/software/DL-POLY/.
27. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269-6271
28. Ryckaert, J.-P.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1997, 23, 327-341
29. Evans, D. J.; Morriss, G. P. Comput. Phys. Rep. 1984, 1, 297-343
30. Swiatla-wojcik, D.; Szala-Bilnik, J. J. Chem. Phys. 2011, 134, 054121-054129
31. Cormen, T. H.; Leiserson, C. E.; Revist, R. L.; Stein, C. Introduction to Algorithms, 2 nd ed.; MIT Press: Cambridge, MA, 2001.
32. Demontis, P.; González, J. G.; Suffritti, G. B.; Tilocca, A. J. Am. Chem. Soc. 2001, 123, 5069-5074
33. Luzar, A.; Chandler, D. Phys. Rev. Lett. 1996, 76, 928-930
34. Nature (London) 1996, 379, 55-57.
35. Ye, H.; Zhang, H.; Zheng, Y.; Zhang, Z. Microfluid Nanofluid 2011, 10, 1359-1364
36. Humbrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33-38
37. Wang, H.-J.; Xi, X.-K.; Kleinhammes, A.; Wu, Y. Science 2008, 322, 80-83
38. Zhao, X. Phys. Rev. B 2007, 76, 041402-041405
39. Dubinin, M. M.; Vartapetian, R. Sh.; Voloshchuk, A. M.; Kärger, J.; Pfeifer, H. Carbon 1998, 26, 515-520
40. Striolo, A. Nanotechnology 2007, 18, 475704
41. Heink, W.; Kärger, J.; Pfeifer, H.; Vartapetian, R. Sh.; Voloshchuk, A. M. Carbon 1993, 31, 1083-1087
42. Ito, K.; Moynihan, C. T.; Angell, C. A. Nature 1999, 398, 492-495
43. Cerveny, S.; Colmenero, J.; Alegría, A. Eur. Phys. J. 2007, 141, 49-52
44. Demontis, P.; Gulín-González, J.; Masia, M.; Suffritti, G. B. J. Phys.: Condens. Matter. 2010, 22, 284106-284119
45. Liu, L.; Chen, S.-H.; Faraone, A.; Yen, C.-W.; Mou, C.-Y. Phys. Rev. Lett. 2005, 95, 117802-117806
46. Chu, X.-Q.; Liu, K.-H.; Tyagi, M. S.; Mou, C.-W.; Chen, S.-H. Phys. Rev. E. 2010, 82, 020501-020505
47. Mamontov, E.; Burnham, C. J.; Chen, S.-H.; Moravsky, A. P.; Loong, C.-K.; de Souza, N. R.; Kolesnikov, A. I. J. Chem. Phys. 2006, 124, 194703-194709