Molecular dynamics simulations of surfactants at the silica-water interface: Anionic vs nonionic headgroups

Journal of Colloid and Interface Science

Volumn 362, Issue 1, 2011, Pages 135-143

  Tummala, Naga Rajesh ^a   Shi, Liu ^a   Striolo, Alberto ^a  

^a UNIVERSITY OF OKLAHOMA   (United States)

Author keywords

Amphiphilic molecules; C12E6; Electrostatic interactions; SDS; Surface aggregates; Surfactants on oxide surfaces

Indexed keywords

AGGREGATE MORPHOLOGY; AMPHIPHILIC MOLECULES; C12E6; EXPERIMENTAL DATA; HEAD GROUPS; HEXAETHYLENE GLYCOL; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR LEVELS; NONIONIC; SDS; SILICA SUBSTRATE; SILICA-WATER INTERFACE; SODIUM DODECYL SULFATE; SUBSTRATE SURFACE; SURFACE AGGREGATES; SURFACTANT ADSORPTION; SURFACTANT AGGREGATES;

ADSORPTION; AGGLOMERATION; AGGREGATES; ANIONIC SURFACTANTS; ETHERS; GLYCOLS; HYDROXYLATION; MORPHOLOGY; NONIONIC SURFACTANTS; SILICA; SODIUM; SODIUM SULFATE; SUBSTRATES;

MOLECULAR DYNAMICS;

ANION; DODECYL SULFATE SODIUM; ETHYLENE OXIDE; HEXAETHYLENE GLYCOL MONODODECYL ETHER; SILICON; SURFACTANT; UNCLASSIFIED DRUG; WATER;

ADSORPTION KINETICS; ARTICLE; ELECTROCHEMICAL ANALYSIS; EXPERIMENTAL STUDY; HYDROXYLATION; MOLECULAR DYNAMICS; MORPHOLOGY; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTITATIVE ANALYSIS; SIMULATION; STATIC ELECTRICITY; STRUCTURE ANALYSIS; SURFACE CHARGE;

EID: 79960838731     PISSN: 00219797     EISSN: 10957103     Source Type: Journal    
DOI: 10.1016/j.jcis.2011.06.033     Document Type: Article

References (75)

1. Hiemenz P.C., Rajagopalan R. Principles of Colloid and Surface Chemistry 1997, Marcel Decker Inc., New York. third ed.
2. Rosen M. Surfactants and Interfacial Phenomenon 2004, Wiley Interscience, New Jersey. third ed.
3. Paria S., Khilar K.C. Adv. Colloid Interfac. Sci. 2004, 110:75.
4. Wanless E.J., Ducker W.A. J. Phys. Chem. 1996, 100:3207.
5. Tummala N.R., Striolo A. J. Phys. Chem. B 2008, 112:1987.
6. Tummala N.R., Striolo A. ACS Nano 2009, 3:595.
7. Tummala N.R., Striolo A. Phys. Rev. E 2009, 80:021408.
8. Sammalkorpi M., Panagiotopoulos A.Z., Haataja M. J. Phys. Chem. B 2008, 112:2915.
9. Sammalkorpi M., Panagiotopoulos A.Z., Haataja M. J. Phys. Chem. B 2008, 112:12954.
10. Dominguez H. J. Phys. Chem. B 2007, 111:4054.
11. Yurekli K., Mitchell C.A., Krishnamoorti R. J. Am. Chem. Soc. 2004, 126:9902.
12. Fleming B.D., Biggs S., Wanless E.J. J. Phys. Chem. B 2001, 105:9537.
13. Atkin R., Craig V.S.J., Wanless E.J., Biggs S. J. Colloid Interf. Sci. 2003, 266:236.
14. Atkin R., Craig V.S.J., Wanless E.J., Biggs S. Adv. Colloid Interfac. Sci. 2003, 103:219.
15. Velegol S.B., Fleming B.D., Biggs S., Wanless E.J., Tilton R.D. Langmuir 2000, 16:2548.
16. Shah K., Chiu P., Jain M., Fortes J., Moudgil B., Sinnott S. Langmuir 2005, 21:5337.
17. Shah K., Chiu P., Sinnott S.B. J. Colloid Interf. Sci. 2006, 296:342.
18. Atkin R., Craig V.S.J., Hartley P.G., Wanless E.J., Biggs S. Langmuir 2003, 19:4222.
19. Scamehorn J.F., Schechter R.S., Wade W.H. J. Colloid Interf. Sci. 1982, 85:463.
20. Scamehorn J.F., Schechter R.S., Wade W.H. J. Colloid Interf. Sci. 1982, 85:479.
21. Fuerstenau D.W., Wakamatsu T. Faraday Discuss. Chem. Soc. 1975, 59:157.
22. Penfold J., Staples E., Tucker I., Thomas R.K. Langmuir 2002, 18:5755.
23. Penfold J., Tucker I., Staples E., Thomas R.K. Langmuir 2004, 20:7177.
24. Huang Z., Yan Z., Gu T. Colloid Surface 1989, 36:353.
25. Penfold J., Staples E.J., Tucker I., Thompson L.J., Thomas R.K. Int. J. Thermophys. 1999, 20:19.
26. Penfold J., Tucker I., Thomas R.K. Langmuir 2005, 21:6330.
27. Blom A., Warr G.G., Wanless E.J. Langmuir 2005, 21:11850.
28. Grant L.M., Tiberg F., Ducker W.A. J. Phys. Chem. B 1998, 102:4288.
29. Penfold J., Staples E., Tucker I. Langmuir 2002, 18:2967.
30. Lee E.M., Thomas R.K., Cummins P.G., Staples E.J., Penfold J., Rennie A.R. Chem. Phys. Lett. 1989, 162:196.
31. Penfold J., Staples E.J., Tucker I., Thompson L.J. Langmuir 1997, 13:6638.
32. Frank B., Garoff S. Langmuir 1995, 11:87.
33. Tiberg F., Joensson B., Tang J.-a., Lindman B. Langmuir 1994, 10:2294.
34. Cummins P.G., Staples E., Penfold J. J. Phys. Chem. 1990, 94:3740.
35. Liu S., Guo D., Xie G. J. Appl. Phys. 2010, 108:084315.
36. Briscoe W.H., Titmuss S., Tiberg F., Thomas R.K., McGillivray D.J., Klein J. Nature 2006, 444:191.
37. Hu M., Goicochea J.V., Michel B., Poulikakos D. Nano Lett. 2009, 10:279.
38. Raviv U., Klein J. Science 2002, 297:1540.
39. Qiao B., Cerdà J.J., Holm C. Macromolecules 2011, 44:1707.
40. Pattanayek S.K., Juvekar V.A. Macromolecules 2002, 35:9574.
41. Postmus B.R., Leermakers F.A.M., Cohen Stuart M.A. Langmuir 2008, 24:6712.
42. Postmus B.R., Leermakers F.A.M., Koopal L.K., Cohen Stuart M.A. Langmuir 2007, 23:5532.
43. Postmus B.R., Leermakers F.A.M., Stuart M.A.C. Langmuir 2008, 24:3960.
44. Nihonyanagi S., Yamaguchi S., Tahara T. J. Am. Chem. Soc. 2010, 10.1021/ja910914g.
45. Chen X., Hua W., Huang Z., Allen H.C. J. Am. Chem. Soc. 2010, 132:11336.
46. Hayes P.L., Chen E.H., Achtyl J.L., Geiger F.M. J. Phys. Chem. A 2009, 113:4269.
47. Hayes P.L., Keeley A.R., Geiger F.M. J. Phys. Chem. B 2010, 114:4495.
48. Shi L., Ghezzi M., Caminati G., Lo Nostro P., Grady B.P., Striolo A. Langmuir 2009, 25:5536.
49. Gutig C., Grady B.P., Striolo A. Langmuir 2008, 24:4806.
50. Lu J.R., Li Z.X., Thomas R.K., Staples E.J., Thompson L., Tucker I., Penfold J. J. Phys. Chem. 1994, 98:6559.
51. Lu J.R., Marrocco A., Su T.J., Thomas R.K., Penfold J. J. Colloid Interf. Sci. 1993, 158:303.
52. Penfold J., Thomas R.K., Simister E., Lee E., Rennie A. J. Phys.: Cond. Matter 1990, SA411.
53. Purcell I.P., Thomas R.K., Penfold J., Howe A.M. Colloid Surface A 1995, 94:125.
54. Bandyopadhyay S., Chanda J. Langmuir 2003, 19:10443.
55. Chanda J., Bandyopadhyay S. J. Chem. Theory. Comput. 2005, 1:963.
56. Argyris D., Tummala N.R., Striolo A., Cole D.R. J. Phys. Chem. C 2008, 112:13587.
57. Berendsen H.J.C., van der Spoel D., van Drunen R. Comput. Phys. Commun. 1995, 91:43.
58. Hess B., Kutzner C., van Der Spoel D., Lindahl E. J. Chem. Theory Comput. 2008, 4:435.
59. Lindahl E., Hess B., van der Spoel D. J. Mol. Model. 2001, 7:306.
60. van der Spoel D., Lindahl E., Hess B., Groenhof G., Mark A.E., Berendsen H.J.C. J. Comput. Chem. 2005, 26:1701.
61. Berendsen H.J.C., Grigera J.R., Straatsma T.P. J. Phys. Chem. 1987, 91:6269.
62. Shi L., Tummala N.R., Striolo A. Langmuir 2010, 26:5462.
63. Argyris D., Cole D.R., Striolo A. Langmuir 2009, 25:8025.
64. Puibasset J., Pellenq R.J.M. J. Chem. Phys. 2003, 119:9226.
65. Ho T.A., Argyris D., Papavassiliou D.V., Lee L.L., Cole D.R., Striolo A. Mol. Simul. 2011, 37:172.
66. Skelton A.A., Fenter P., Kubicki J.D., Wesolowski D.J., Cummings P.T. J. Phys. Chem. C 2011, 115:2076.
67. Essmann U., Perera L., Berkowitz M.L., Darden T., Lee H., Pedersen L.G. J. Chem. Phys. 1995, 103:8577.
68. Nosé S. J. Chem. Phys. 1984, 81:511.
69. Argyris D., Cole D.R., Striolo A. ACS Nano 2010, 4:2035.
70. Van Der Voort P., Gillis-D'Hamers I., Vansant E.F. J. Chem. Soc., Faraday Trans. 1990, 86:3751.
71. Zhuravlev L.T. Langmuir 1987, 3:316.
72. Sammalkorpi M., Karttunen M., Haataja M. J. Phys. Chem. B 2007, 111:11722.
73. Gutig C., Grady B.P., Striolo A. Langmuir 2008, 24:13814.
74. Somasundaran P., Fuerstenau D.W. J. Phys. Chem. 1966, 70:90.
75. Lu S., Somasundaran P. Langmuir 2008, 24:3874.