A molecular simulation of interactions between graphene nanosheets and supercritical CO2

Journal of Colloid and Interface Science

Volumn 361, Issue 1, 2011, Pages 1-8

  Wu, Bin ^a   Yang, Xiaoning ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

Colloidal dispersion; Graphene nanosheets; Molecular dynamics simulation; Potential of mean force (PMF); Supercritical CO2

Indexed keywords

COLLOIDAL DISPERSION; COLLOIDAL DISPERSION STABILITY; EFFECT OF TEMPERATURE; FLUID DENSITIES; GRAPHENE SHEETS; INTERFACIAL REGION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; NANO-SIZED; POTENTIAL OF MEAN FORCE; REPULSION INTERACTIONS; SIMULATION RESULT; SINGLE LAYER; SOLVENT STRUCTURES; STABILITY MECHANISMS; SUPERCRITICAL CO;

CARBON DIOXIDE; DISPERSIONS; EFFLUENT TREATMENT; ENERGY BARRIERS; FREE ENERGY; MOLECULAR DYNAMICS; NANOSHEETS; STABILIZATION; SUPERCRITICAL FLUIDS;

GRAPHENE;

CARBON DIOXIDE; GRAPHENE; NANOMATERIAL; SUPERCRITICAL CARBON DIOXIDE; UNCLASSIFIED DRUG;

ARTICLE; DENSITY GRADIENT; ENERGY YIELD; ENTROPY; FORCE; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR STABILITY; POTENTIAL MEAN FORCE; PRIORITY JOURNAL; SUPERCRITICAL FLUID CHROMATOGRAPHY; TEMPERATURE SENSITIVITY;

EID: 79959795619     PISSN: 00219797     EISSN: 10957103     Source Type: Journal    
DOI: 10.1016/j.jcis.2011.05.021     Document Type: Article

References (50)

1. Novoselov K.S., Geim A.K., Morozov S.V., Jiang D., Zhang Y., Dubonos S.V., Grigorieva I.V., Firsov A.A. Science 2004, 306:666.
2. Novoselov K.S., Jiang D., Schedin F., Booth T.J., Khotkevich V.V., Morozov S.V., Geim A.K. PNAS 2005, 102:10451.
3. Novoselov K.S., Geim A.K. Nat. Mater. 2007, 6:183.
4. Schedin F., Geim A.K., Morozov S.V., Hill E.W., Blake P., Katsnelson M.I., Novoselov K.S. Nat. Mater. 2007, 6:652.
5. Scott Bunch J., van der Zanda A.M., Verbridge S.S., Frank I.W., Tanenbaum D.M., Parpia J.M., Craighead H.G., McEuen P.L. Science 2007, 315:490.
6. Patchkovskii S.G., Tse J.S., Yurchenko S.G.N. PNAS 2005, 102:10439.
7. Zhang Y.B., Tan Y.W., Stormer H.L., Kim P. Nature 2005, 438:201.
8. Lee C.G., Wei X.D., Kysar J.W. Science 2008, 321:385.
9. Berger C., Song Z.M., Li T.B., Li X.B., Ogbazghi A.Y., Feng R., Dai Z.T., Marchenkov A.N., Conrad E.H., First P.N., de Heer W.A. J. Phys. Chem. B 2004, 108:19912.
10. Berger C., Song Z.M., Li X.B., Wu X.S., Li T.B., Marchenkov A.N., Conrad E.H., First P.N., de Heer W.A. Science 2006, 312:1191.
11. Dikin D.A., Stankovich S., Dommett G.H.B., Kohlhaas K.M., Stach E.A., Piner R.D., Ruoff R.S. Nature 2006, 442:282.
12. Dikin D.A., Stankovich S., Zimney E.J., Piner R.D., Dommett G.H.B., Nguyen S.B., Ruoff R.S. Nature 2007, 448:457.
13. Sutter P.W., Flege J.I., Sutter E.A. Nat. Mater. 2008, 7:406.
14. Li X.L., Wang X.R., Zhang L., Lee S.W., Dai H.J. Science 2008, 319:1229.
15. Blighe F.M., Sun Z.Y., Mcgovern I.T., Hernandez Y., Duesberg G., Ferrari A.C., Coleman J.N. Nat. Nanotechnol. 2008, 3:563.
16. Valles C., Drummond C., Saadaoui H., Furtado C.A., Roubeau O., Monthioux M. J. Am. Chem. Soc. 2008, 130:15802.
17. Bourlinos A.B., Georgakilas V., Zboril R., Steriotis T.A., Stubos A.K. Small 2009, 5:1841.
18. Shih C.J., Lin S.C., Strano M.S., Blankschtein D. J. Am. Chem. Soc. 2010, 132:14638.
19. Park S., Ruoff R.S. Nat. Nanotechnol. 2009, 4:217.
20. Mcgovern I.T., Hernandez Y., Holland B., Byrne M., Gunko Y.K., Boland J.J., Ferrari A.C., Coleman J.N. Nat. Nanotechnol. 2008, 3:563.
21. Blake P., Brimicombe P.D., Nair R.R., Booth T.J., Jiang D., Schedin F., Ponomarenko L.A., Morozov S.V., Gleeson H.F., Hill E.W., Geim A.K., Novoselov K.S. Nano Lett. 2008, 8:1704.
22. Lotya M., Hernandez Y., King P.J., Smith R.J., Nicolosi V., Karlsson L.S., Blighe F.M., Wang Z.M., Mcgovern I.T., Duesberg G.S., Coleman J.N. J. Am. Chem. Soc. 2009, 131:3611.
23. Rangappa D., Sone K., Wang M.S., Gautam U.K., Golberg D., Ichihara M., Honma I. Chem. Eur. J. 2010, 16:6488.
24. Serhatkulu G.K., Dilek C., Gulari E. J. Supercrit. Fluids 2006, 39:264.
25. Pu N.W., Wang C.A., Sung Y., Liu Y.M., Ger M.D. Mater. Lett. 2009, 63:1987.
26. Xu Z.J., Yang X.N., Yang Z. Nano Lett. 2010, 10:985.
27. Li L.W., Bedrow D., Smith G.D. J. Chem. Phys. 2005, 123:204504.
28. Li L.W., Bedrow D., Smith G.D. Phys. Rev. E 2005, 71:011502.
29. Choudhury N., Pettitt B.M. J. Am. Chem. Soc. 2005, 127:3556.
30. Li L.W., Bedrow D., Smith G.D. J. Phys. Chem. B 2006, 110:10509.
31. Konatham D., Striolo A. Nano Lett. 2008, 8:4630.
32. Tummala N.R., Striolo A. ACS Nano 2009, 3:595.
33. Harris J.G., Yung K.H. J. Phys. Chem. 1995, 99:12021.
34. Lu L., Berkowitz M.L. J. Chem. Phys. 2006, 124:101101.
35. Plimpton S. J. Comput. Phys. 1995, 117:1.
36. Barnard A.S., Snook L.K. J. Chem. Phys. 2008, 128:094707.
37. Darden T., York D., Pedersen L. J. Chem. Phys. 1993, 98:10089.
38. Patel N., Egorov S.A. J. Chem. Phys. 2007, 126:054706.
39. Walther J.H., Jaffe R.L., Kotsalis E.M., Werder T., Halicioglu T., Koumoutsakos P. Carbon 2004, 42:1185.
40. Guardia E., Rey R., Padro J.A. Chem. Phys. 1991, 155:187.
41. Ciccotti G., Ferrario M., Hynes J.T., Kapral R. Chem. Phys. 1989, 129:241.
42. Trzesniak D., Kunz A.P.E., van Gunsteren W.F. ChemPhysChem 2007, 8:162.
43. Dang L.X. J. Chem. Phys. 1994, 100:9032.
44. Shimizu S., Chan H.S. J. Chem. Phys. 2000, 113:4683.
45. Southall N.T., Dill K.A. Biophys. Chem. 2002, 101-102:295.
46. Walther J.H., Jaffe R., Halicioglu T., Koumoutsakos P. J. Phys. Chem. B 2001, 105:9980.
47. Werder T., Walther J.H., Jaffe R.L., Halicioglu T., Koumoutsakos P. J. Phys. Chem. B 2003, 107:1345.
48. Tucker S.C. Chem. Rev. 1999, 99:391.
49. Lal M., Plummer M., Smith W. J. Phys. Chem. B 2006, 110:20879.
50. Yang Z., Yang X.N., Xu Z.J., Yang N. J. Chem. Phys. 2010, 133:094702.