Alcohol-induced drying of carbon nanotubes and its implications for alcohol/water separation: A molecular dynamics study

Journal of Chemical Physics

Volumn 138, Issue 20, 2013, Pages

  Tian, Xingling ^a   Yang, Zaixing ^b   Zhou, Bo ^a   Xiu, Peng ^b   Tu, Yusong ^c  

^a ZHEJIANG UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

^c SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL INDUSTRY; DEHYDRATION; DRYING; ENERGY CONSERVATION; HYDROPHILICITY; MOLECULAR DYNAMICS; NANOTUBES; SEPARATION;

AQUEOUS ALCOHOLS; DISPERSION INTERACTION; ENERGETIC ANALYSIS; MOLECULAR DYNAMICS SIMULATIONS; ORGANIC MOLECULES; PHYSICAL MECHANISM; PREFERENTIAL ADSORPTION; SINGLE-WALLED CARBON NANOTUBE (SWNTS);

SINGLE-WALLED CARBON NANOTUBES (SWCN);

ALCOHOL DERIVATIVE; CARBON NANOTUBE; WATER;

CHEMISTRY; MOLECULAR DYNAMICS;

ALCOHOLS; MOLECULAR DYNAMICS SIMULATION; NANOTUBES, CARBON; WATER;

EID: 84879402744     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4807484     Document Type: Article

References (52)

1. T. Remy, J. C. Saint Remi, R. Singh, P. A. Webley, G. V. Baron, and J. F. M. Denayer, J. Phys. Chem. C 115, 8117 (2011). 10.1021/jp111615e
2. S. I. Nakao, F. Saitoh, T. Asakura, K. Toda, and S. Kimura, J. Membr. Sci. 30, 273 (1987). 10.1016/S0376-7388(00)80123-4
3. P. Kaewkannetra, N. Chutinate, S. Moonamart, T. Kamsan, and T. Y. Chiu, Desalination 271, 88 (2011). 10.1016/j.desal.2010.12.012
4. K. Sunitha, S. V. Satyanarayana, and S. Sridhar, Carbohydr. Polym. 87, 1569 (2012). 10.1016/j.carbpol.2011.09.054
5. D. Nimcevic and J. R. Gapes, " The acetone-butanol fermentation in pilot plant and pre-industrial scale.," J. Mol. Microbiol. Biotechnol. 2, 15 (2000).
6. N. Qureshi, S. Hughes, I. S. Maddox, and M. A. Cotta, Bioprocess Biosyst. Eng. 27, 215 (2005). 10.1007/s00449-005-0402-8
7. K. Zhang, R. P. Lively, J. D. Noel, M. E. Dose, B. A. McCool, R. R. Chance, and W. J. Koros, Langmuir 28, 8664 (2012). 10.1021/la301122h
8. R. H. Zhou, X. H. Huang, C. J. Margulis, and B. J. Berne, Science 305, 1605 (2004). 10.1126/science.1101176
9. P. Liu, X. H. Huang, R. H. Zhou, and B. J. Berne, Nature (London) 437, 159 (2005). 10.1038/nature03926
10. N. Choudhury and B. M. Pettitt, J. Am. Chem. Soc. 129, 4847 (2007). 10.1021/ja069242a
11. Z. X. Yang, B. Y. Shi, H. J. Lu, P. Xiu, and R. H. Zhou, J. Phys. Chem. B 115, 11137 (2011). 10.1021/jp2046454
12. X. Li, J. Y. Li, M. Eleftheriou, and R. H. Zhou, J. Am. Chem. Soc. 128, 12439 (2006). 10.1021/ja057944e
13. M. G. Krone, L. Hua, P. Soto, R. H. Zhou, B. J. Berne, and J.-E. Shea, J. Am. Chem. Soc. 130, 11066 (2008). 10.1021/ja8017303
14. D. Tasis, N. Tagmatarchis, A. Bianco, and M. Prato, Chem. Rev. 106, 1105 (2006). 10.1021/cr050569o
15. F. J. A. L. Cruz and J. P. B. Mota, Phys. Rev. B 79, 165426 (2009). 10.1103/PhysRevB.79.165426
16. Q. Shao, L. L. Huang, J. Zhou, L. H. Lu, L. Z. Zhang, X. H. Lu, S. Jiang, K. E. Gubbins, Y. D. Zhu, and W. F. Shen, J. Phys. Chem. C 111, 15677 (2007). 10.1021/jp0736140
17. Y. S. Tu, P. Xiu, R. Z. Wan, J. Hu, R. H. Zhou, and H. P. Fang, Proc. Natl. Acad. Sci. U.S.A. 106, 18120 (2009). 10.1073/pnas.0902676106
18. P. Xiu, B. Zhou, W. P. Qi, H. J. Lu, Y. S. Tu, and H. P. Fang, J. Am. Chem. Soc. 131, 2840 (2009). 10.1021/ja804586w
19. P. Das, Nanoscale 4, 2931 (2012). 10.1039/c2nr30070b
20. B. Corry, J. Phys. Chem. B 112, 1427 (2008). 10.1021/jp709845u
21. Z. G. Mao and S. B. Sinnott, J. Phys. Chem. B 105, 6916 (2001). 10.1021/jp0103272
22. L. Huang, L. Zhang, Q. Shao, L. Lu, X. Lu, S. Jiang, and W. Shen, J. Phys. Chem. C 111, 11912 (2007). 10.1021/jp067226u
23. J. Lee and N. R. Aluru, Appl. Phys. Lett. 96, 133108 (2010). 10.1063/1.3374363
24. A. Kalra, G. Hummer, and S. Garde, J. Phys. Chem. B 108, 544 (2004). 10.1021/jp035828x
25. P. Das and R. H. Zhou, J. Phys. Chem. B 114, 5427 (2010). 10.1021/jp911444q
26. P. Xiu, Z. X. Yang, B. Zhou, P. Das, H. P. Fang, and R. H. Zhou, J. Phys. Chem. B 115, 2988 (2011). 10.1021/jp108303q
27. P. Xiu, Y. S. Tu, X. L. Tian, H. P. Fang, and R. H. Zhou, Nanoscale 4, 652 (2012). 10.1039/c1nr10793c
28. Y. Liu, S. Consta, and W. A. Goddard, J. Nanosci. Nanotechnol. 10, 3834 (2010). 10.1166/jnn.2010.1999
29. W. H. Zhao, B. Shang, S. P. Du, L. F. Yuan, J. L. Yang, and X. C. Zeng, J. Chem. Phys. 137, 034501 (2012). 10.1063/1.4732313
30. L. H. Lu, Q. Shao, L. L. Huang, and X. H. Lu, Fluid Phase Equilib. 261, 191 (2007). 10.1016/j.fluid.2007.07.057
31. S. P. Du, W. H. Zhao, and L. F. Yuan, Chin. J. Chem. Phys. 25, 487 (2012). 10.1088/1674-0068/25/04/487-493
32. S. Cabani, P. Gianni, V. Mollica, and L. Lepori, J. Solution Chem. 10, 563 (1981). 10.1007/BF00646936
33. D. P. Kharakoz, J. Solution Chem. 21, 569 (1992). 10.1007/BF00649565
34. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983). 10.1063/1.445869
35. W. L. Jorgensen, D. S. Maxwell, and J. TiradoRives, J. Am. Chem. Soc. 118, 11225 (1996). 10.1021/ja9621760
36. J. Lehtola, M. Hakala, and K. Hamalainen, J. Phys. Chem. B 114, 6426 (2010). 10.1021/jp909894y
37. A. Vrhovšek, O. Gereben, A. Jamnik, and L. Pusztai, J. Phys. Chem. B 115, 13473 (2011). 10.1021/jp206665w
38. L. Hua, R. H. Zhou, D. Thirumalai, and B. J. Berne, Proc. Natl. Acad. Sci. U.S.A. 105, 16928 (2008). 10.1073/pnas.0808427105
39. G. Hummer, J. C. Rasaiah, and J. P. Noworyta, Nature (London) 414, 188 (2001). 10.1038/35102535
40. Z. Yang, Z. Wang, X. Tian, P. Xiu, and R. Zhou, J. Chem. Phys. 136, 025103 (2012). 10.1063/1.3675486
41. B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008). 10.1021/ct700301q
42. G. Bussi, D. Donadio, and M. Parrinello, J. Chem. Phys. 126, 014101 (2007). 10.1063/1.2408420
43. M. Parrinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981). 10.1063/1.328693
44. T. Darden, D. York, and L. Pedersen, J. Chem. Phys. 98, 10089 (1993). 10.1063/1.464397
45. Z. Tan and K. E. Gubbins, J. Phys. Chem. 96, 845 (1992). 10.1021/j100181a059
46. R. Zangi, R. Zhou, and B. J. Berne, J. Am. Chem. Soc. 131, 1535 (2009). 10.1021/ja807887g
47. S. Tsuzuki, K. Honda, T. Uchimaru, M. Mikami, and K. Tanabe, J. Am. Chem. Soc. 124, 104 (2002). 10.1021/ja0105212
48. C. C. Ge, J. F. Du, L. N. Zhao, L. M. Wang, Y. Liu, D. H. Li, Y. L. Yang, R. H. Zhou, Y. L. Zhao, Z. F. Chai, and C. Y. Chen, Proc. Natl. Acad. Sci. U.S.A. 108, 16968 (2011). 10.1073/pnas.1105270108
49. Y. S. Tu, R. H. Zhou, and H. P. Fang, Nanoscale 2, 1976 (2010). 10.1039/c0nr00304b
50. Y. S. Tu, H. J. Lu, Y. Z. Zhang, H. Tien, and R. H. Zhou, J. Chem. Phys. 138, 015104 (2013). 10.1063/1.4773221
51. A. Kalra, S. Garde, and G. Hummer, Proc. Natl. Acad. Sci. U.S.A. 100, 10175 (2003). 10.1073/pnas.1633354100
52. carbon for 1-alcohols, and some figures to show the drying processes for narrow SWNT systems.