Molecular simulation study of the bonded-phase structure in reversed-phase liquid chromatography with neat aqueous solvent

Journal of Chromatography A

Volumn 1079, Issue 1-2 SPEC. ISS., 2005, Pages 127-135

  Zhang, Ling ^a   Sun, Li ^a   Siepmann, J I ^a   Schure, Mark R ^b  

^a UNIVERSITY OF MINNESOTA   (United States)

^b ROHM AND HAAS COMPANY   (United States)

Author keywords

Chain conformation; Molecular simulation; Reversed phase liquid chromatography; Water penetration

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MONTE CARLO METHODS; SEPARATION; SOLUTIONS; SOLVENTS;

BONDED-PHASE CHAINS; CONFORMATIONAL CHANGES; GIBBS ENSEMBLES; REVERSED-PHASE LIQUID CHROMATOGRAPHY (RPLC);

LIQUID CHROMATOGRAPHY;

SILANE DERIVATIVE; SILICON DIOXIDE; WATER;

ARTICLE; CHEMICAL BOND; CHEMICAL PROCEDURES; CONFORMATION; MONTE CARLO METHOD; PRIORITY JOURNAL; REVERSED PHASE LIQUID CHROMATOGRAPHY; SIMULATION; STATISTICAL SIGNIFICANCE;

ALKANES; CHROMATOGRAPHY, LIQUID; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MONTE CARLO METHOD; SILICON DIOXIDE; SOLVENTS; WATER;

EID: 20444479415     PISSN: 00219673     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chroma.2005.03.124     Document Type: Article

References (56)

1. L.R. Snyder, and J.J. Kirkland Introduction to Modern Liquid Chromatography 1979 Wiley New York
2. J.C. Giddings Unified Separation Science 1991 Wiley New York
3. C. Horváth, W. Melander, and I. Molnar J. Chromatogr. 158 1978 215
4. A. Vailaya, and C. Horváth J. Phys. Chem. B 101 1997 5875
5. A. Vailaya, and C. Horváth J. Phys. Chem. B 102 1998 701
6. A. Vailaya, and C. Horváth J. Chromatogr. B 829 1998 1
7. O. Sinanoǧlu, in: B. Pullman (Ed.), Molecular Associations in Biology, Academic Press, New York, 1968, p. 427
8. C.G. Gray, K.E. Gubbins, Theory of Molecular Fluids, vol. 1, Fundamentals, Clarendon Press, Oxford, 1984
9. J.P. Hansen, and I.R. McDonald Theory of Simple Liquids 1986 Academic Press New York
10. S.S. Yang, and R.K. Gilpin J. Chromatogr. 394 1987 295
11. Z. Li, S.C. Rutan, and S. Dong Anal. Chem. 68 1996 124
12. P.D. McDonald, in: P.R. Brown, E. Grushka (Eds.), Advances in Chromatography, vol. 42, Marcel Dekker Publishing, New York, 2003, p. 323
13. B.A. Bidlingmeyer, and A.D. Broske J. Chrom. Sci. 42 2004 100
14. T.H. Walter, P. Iraneta, M. Capparella, J. Chromatogr. A, in press.
15. C.H. Lochmüller, and D.R. Wilder J. Chrom. Sci. 17 1979 574
16. P.-G. deGennes, F. Brochard-Wyart, and D. Quéré Capillarity and Wetting Phenomena: Drops, Bubbles, Pearls, Waves 2004 Springer Berlin
17. A.A. Adamson, and A.P. Gast Physical Chemistry of Surfaces sixth ed. 1997 Wiley Interscience New York
18. P.C. Hiemenz, and R. Rajagopalan Principles of Colloid and Surface Chemistry third ed. 1997 Marcel Dekker New York
19. J.S. Rowlinson, and B. Widom Molecular Theory of Capillarity 2003 Dover Publications New York
20. J.G. Dorsey, and K.A. Dill Chem. Rev. 89 1989 331
21. L.C. Sander, J.B. Callis, and L.R. Field Anal. Chem. 55 1983 1068
22. M.W. Ducey, C.J. Orendorff, J.E. Pemberton, and L.C. Sander Anal. Chem. 74 2002 5576
23. M.P. Allen, and D.J. Tildesley Computer Simulation of Liquids 1987 Oxford University Press Oxford
24. D. Frenkel, and B. Smit Understanding Molecular Simulation 1996 Academic Press New York
25. A.R. Leach Molecular Modelling: Principles and Applications second ed. 2001 Prentice Hall New York
26. M.R. Schure, in: J.J. Pesek, I.E. Leigh (Eds.), Chemically Modified Surfaces, Royal Society of Chemistry, Cambridge, 1994, p. 181
27. M.R. Schure, in: P.R. Brown, E. Grushka (Eds.), Advances in Chromatography, vol. 39, Marcel Dekker Publishing, New York, 1998, p. 139
28. I. Yarovsky, M.-I. Aguilar, and M.T.W. Hearn Anal. Chem. 67 1995 2145
29. S.J. Klatte, and T.L. Beck J. Phys. Chem. 100 1996 5931
30. K.B. Lipkowitz, G. Pearl, B. Coner, and M.A. Peterson J. Am. Chem. Soc. 119 1997 600
31. J.T. Slusher, and R.D. Mountain J. Phys. Chem. B 103 1999 1354
32. M.G. Martin, J.I. Siepmann, and M.R. Schure J. Phys. Chem. B 103 1999 11191
33. C.D. Wick, J.I. Siepmann, and M.R. Schure J. Phys. Chem. B 105 2001 10961
34. C.D. Wick, J.I. Siepmann, W.L. Klotz, and M.R. Schure J. Chromatogr. A 954 2002 181
35. C.D. Wick, J.I. Siepmann, and M.R. Schure Anal. Chem. 74 2002 37
36. C.D. Wick, J.I. Siepmann, and M.R. Schure Anal. Chem. 74 2002 3518
37. C.D. Wick, J.I. Siepmann, and M.R. Schure Anal. Chem. 76 2004 2886
38. N.D. Zhuravlev, J.I. Siepmann, and M.R. Schure Anal. Chem. 73 2001 4006
39. M.G. Martin, and J.I. Siepmann J. Phys. Chem. B 102 1998 2569
40. M.G. Martin, and J.I. Siepmann J. Phys. Chem. B 103 1999 4508
41. B. Chen, J.J. Potoff, and J.I. Siepmann J. Phys. Chem. B 105 2001 3093
42. J.M. Stubbs, J.J. Potoff, and J.I. Siepmann J. Phys. Chem. B 108 2004 17596
43. W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein J. Chem. Phys. 79 1983 926
44. T.J.H. Vlugt, W. Zhu, F. Kapteijn, J.A. Moulijn, B. Smit, and R. Krishna J. Am. Chem. Soc. 120 1998 5599
45. E. Demiralp, T. Cagin, and W.A. Goddard Phys. Rev. Lett. 82 1999 1708
46. J.I. Siepmann, and D. Frenkel Mol. Phys. 75 1992 59
47. D. Frenkel, G.C.A.M. Mooij, and B. Smit J. Phys.: Cond. Matter 4 1992 3053
48. A.Z. Panagiotopoulos Mol. Phys. 61 1987 813
49. A.Z. Panagiotopoulos, N. Quirke, M. Stapleton, and D.J. Tildesley Mol. Phys. 63 1988 527
50. G.C.A.M. Mooij, D. Frenkel, and B. Smit J. Phys.: Cond. Matt. 4 1992 255
51. J.N. Canongia Lopes, and D.J. Tildesley Mol. Phys. 92 1997 187
52. I.R. McDonald Mol. Phys. 23 1972 41
53. C.D. Wick, and J.I. Siepmann Macromolecules 33 2000 7207
54. S. Balasubramanian, M.L. Klein, and J.I. Siepmann J. Chem. Phys. 103 1995 3184
55. C.J. Mundy, S. Balasubramanian, K. Bagchi, M.L. Klein, and J.I. Siepmann Faraday Discuss. 104 1996 17
56. R.D. Mountain, and D. Thirumalai J. Am. Chem. Soc. 125 2003 1950