Evaluation of molecular mechanics calculated binding energies for isolated and monolayer organic molecules on graphite

Journal of Colloid and Interface Science

Volumn 314, Issue 2, 2007, Pages 434-445

  Rybolt, Thomas R ^a   Wells, Christina E ^a   Sisson, Charles R ^a   Black, Claire B ^a   Ziegler, Katherine A ^a  

^a UNIVERSITY OF TENNESSEE AT CHATTANOOGA   (United States)

Author keywords

Adsorption; Adsorption energy; Binding energy; carbon; Gas solid interaction energy; graphite; Molecular mechanics; on; Thermal desorption

Indexed keywords

ADSORPTION; BINDING ENERGY; GAS CHROMATOGRAPHY; GRAPHITE; MONOLAYERS; THERMAL DESORPTION;

ADSORPTION ENERGY; GAS SOLID INTERACTION ENERGY; MONOLAYER COVERAGE;

MOLECULAR MECHANICS;

ALCOHOL; ALKANE; BENZENE; GRAPHITE; METHANE; N,N DIMETHYLFORMAMIDE; ORGANIC COMPOUND; POLYCYCLIC AROMATIC HYDROCARBON;

ADSORPTION KINETICS; ARTICLE; BINDING KINETICS; COMPARATIVE STUDY; GAS CHROMATOGRAPHY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PRIORITY JOURNAL; SURFACE PROPERTY;

EID: 34548039934     PISSN: 00219797     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcis.2007.05.083     Document Type: Article

References (41)

1. Allinger N.L. J. Am. Chem. Soc. 99 (1977) 8127
2. Allinger N.L., Yuh Y.H., and Lii J. J. Am. Chem. Soc. 111 (1989) 8551
3. Lii J., and Allinger N.L. J. Am. Chem. Soc. 111 (1989) 8576
4. Irving D.L., Sinnott S.B., and Lindner A.S. Chem. Phys. Lett. 392 (2004) 567
5. Rybolt T.R., Ziegler K.A., Thomas H.E., Boyd J.L., and Ridgeway M.E. J. Colloid Interface Sci. 296 (2006) 41
6. Rybolt T.R., and Hansel R.A. J. Colloid Interface Sci. 300 (2006) 805
7. Shuxia Y., Wang C., Xu B., and Bai C. J. Phys. Chem. B 106 (2002) 9044
8. Shukla N., Gui J., and Gellman A.J. Langmuir 17 (2001) 2395
9. Murata K., Kaneko K., Steele W.A., Kokai F., Takahashi K., Kasuya D., Yudasaka M., and Iijima S. Nano Lett. 1 (2001) 197
10. Kwon S., Russell J., Zhao X., Vidic R.D., Johnson J.K., and Borguet E. Langmuir 18 (2002) 2595
11. Montoya A., Truong T.N., and Sarofim A.F. J. Phys. Chem. A 104 (2000) 6108
12. Sha X., and Jackson B. J. Am. Chem. Soc. 126 (2004) 13095
13. Dillon A.C., and Heben M.J. Appl. Phys. A 72 (2001) 133
14. Kong J., Franklin N.R., Zhou C., Chapline M.G., Peng S., Cho K., and Dai H. Science 287 (2000) 622
15. Bradley K., Gabriel J.C.P., Briman M., Star A., and Grner G. Phys. Rev. Lett. 73 (1998) 218301
16. Adu C.K.W., Sumanasekera G.U., Pradham B.K., Romero H.E., and Eklund P.C. Chem. Phys. Lett. 337 (2001) 31
17. Rybolt T.R., Epperson M.T., Weaver H.W., Thomas H.E., Clare S.E., Manning B.M., and McClung J.T. J. Colloid Interface Sci. 173 (1995) 202
18. McConnell C.L., Rybolt T.R., and Tenn J. Acad. Sci. 69 (1994) 1
19. Kalashnikova E.V., Kiselev A.V., Petrova R.S., Shcherbakova K.D., and Poshkus D.P. Chromatographia 12 (1979) 799
20. Rybolt T.R., Logan D.L., Milburn M.W., Thomas H.E., and Waters A.B. J. Colloid Interface Sci. 220 (1999) 148
21. Zacharia R., Ulbricht H., and Hertel T. Phys. Rev. B 69 (2004) 155406
22. Ulbricht H., Zacharia R., Cindir N., and Hertel T. Carbon 44 (2006) 2931
23. Rybolt T.R., and Thomas H.E. In: Pefferkorn E. (Ed). Interfacial Phenomena in Chromatography (1999), Dekker, New York 1-40
24. Bondi A. J. Phys. Chem. 68 (1964) 441
25. Rydberg H., Jacobson N., Hyldgaard P., Simak S.I., Lundqvist B.I., and Langreth D.C. Surf. Sci. 532 (2003) 606
26. Janzen D.E., Patel K., VanDerveer D.G., and Grant G.J. J. Chem. Crystallogr. 36 (2006) 83
27. Janiak C. J. Chem. Soc. Dalton Trans. (2000) 3885
28. Murugan R., Grendze M.P., Toomey Jr. J.E., Katritzky A.R., Karelson M., Lobanov V., and Rachwal P. CHEMTECH 24 (1994) 17
29. Hansch C., and Leo A. Exploring QSAR: Fundamentals and Applications in Chemistry and Biology (1995), American Chemical Society, Washington, DC
30. Katritzky A.R., Ignatchenko E.S., Barbock R.A., Lobanov V.S., and Karelson M. Anal. Chem. 66 (1994) 1799
31. Kaliszan R. Quantitative Structure-Chromatographic Retention Relationships (1987), Wiley, New York
32. Viday-Madjar C., and Bekassy-Molnar E. J. Phys. Chem. 88 (1984) 232
33. Pompe M., and Novic M. J. Chem. Inf. Comput. Sci. 39 (1999) 59
34. Rybolt T.R., Hooper D.N., Stensby J.B., Thomas H.E., and Baker M.L. J. Colloid Interface Sci. 234 (2001) 168
35. Kim K.S., Tarakeshwar P., and Lee J.Y. Chem. Rev. 100 (2000) 4145
36. Chalasinski G., and Szczesniak M.M. Chem. Rev. 100 (2000) 4227
37. Engkvist O., Astrand P., and Karlstrom G. Chem. Rev. 100 (2000) 4087
38. Basiuk E.V., Basiuk V.A., Banuelos J.-G., Saniger-Blesa J.-M., Pokrovskiy V.A., Gromovoy T.Y., Mischanchuk A.V., and Mischanchuk B.G. J. Phys. Chem. B 106 (2002) 1588
39. Basiuk V.A. J. Phys. Chem. B 107 (2003) 8890
40. Sygula A., Fronczek F.R., Sygula R., Rabideau P.W., and Olmstead M.M. J. Am. Chem. Soc. 129 (2007) 3842-3843
41. Ruuska H., and Pakkanen T.A. J. Phys. Chem. B 105 (2001) 9541