Copper corrosion mechanisms of organopolysulfides

Revue de l'Institute Francais du Petrole

Volumn 51, Issue 1, 1996, Pages 171-181

  Chaka, A M ^a   Harris, J ^b   Li, Xiao Ping ^b  

^a LUBRIZOL CORPORATION   (United States)

^b Biosym/MSI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; CHELATION; CHEMICAL BONDS; COMPUTER SOFTWARE; COPPER ALLOYS; CORROSION; HYDROCARBONS; IRON; OXIDATION; SULFUR COMPOUNDS; SURFACES;

BOND DISSOCIATION ENERGY; DENSITY FUNCTIONAL PROGRAM; KOHN-SHAM DENSITY FUNCTIONAL THEORY; NONLOCAL GRADIENT CORRECTIONS; ORGANOPOLYSULFIDE; POST HARTREE FOCK; SOFTWARE PACKAGE FAST STRUCTURE;

ORGANIC POLYMERS;

ADDITIVES; COPPER; CORROSION; LUBRICANTS; METAL WORKING; ORGANOPOLYSULFIDES;

EID: 0029657276     PISSN: 00202274     EISSN: None     Source Type: Journal    
DOI: 10.2516/ogst:1996016     Document Type: Article

References (30)

1. Li, X.P., J. Andzelm, J. Harris and A.M. Chaka, "A Fast Density Functional Method For Chemistry". Density-Functional Methods in Chemistry, Laird, B.B., Zeigler, T., Ross, R., Ed., ACS Books (1996) Washington D.C. Fast_Structure is a precursor to the FastStruct/SimmAnn module marketed by Biosym/MSI, San Diego, CA 92121.
2. Dupuis M., A. Marquez, E.R. Davidson, HONDO 94.8 (1994). IBM Corporation, Neighborhood Road, Kingston, NY 12401.
3. Kohn, W. and L.J. Sham (1965), Phys. Rev., 140, 1133.
4. Delley, B. (1990), J. Chem. Phys. 92, 508, Version 2.3.5 (1993), Biosym/MSI, San Diego., CA 92121.
5. Schwartz, M.E. (1969), J. Chem. Phys., 51, 348.
6. Feher, F. and R.Z. Schulze-Rettmer (1956), anorg. u. allgem. Chem., 295, 123.
7. Veillard, A. and J. Demuynck (1969-1970), Chem. Phys. Lett., 4, 476.
8. Redington R.L. (1962), J. Mol. Spectrosc., 9, 469.
9. Delley, B., M. Wrinn and H.P. Luthi (1994), J. Chem. Phys., 100, 5785-5791.
10. Pickering, T.L., K.J. Saunders and A.V. Tobolsky (1968), In The Chemistry of Sulfides, Tobolsky, A.V. Ed., Interscience Publishers, John Wiley & Sons, New York, N.Y., pp. 61-72.
11. Gee, G., F. Fairbrother and G.T. Merrall (1955), J. Polymer Sci., 16, 459.
12. Experiments performed in our laboratories.
13. Solid, Version 1.0, Biosym/MSI, San Diego, CA 92121.
14. Kajdas, C. (1994), Lubrication Science, 6-3, 203-228.
15. InsightII, Version 2.3.5, Biosym/MSI, San Diego, CA 92121.
16. Vosko, S.H., L. Wilk and M. Nusair (1980), Can. J. Chem., 5, 1629.
17. Becke, A.D. ( 1988), Phys. Rev. A, 38, 864.
18. Lee, C., W. Yang and R.G. Parr (1988), Phys. Rev. B, 37, 785.
19. Winnewisser, M. and J.Z. Haase (1968), Naturforsch, 23a, 56.
20. Wimmewisser, G., M. Wimmemisser and W. Gordy (1968), J. Chem. Phys., 49, 3465-3478
21. Wilson, M.K. and R.M. Badger (1949), J. Chem. Phys., 17, 1232.
22. Abrahams, S.C. Quart. Revs. (London) (1956), 10, 424.
23. Benson, S.W. (1968). Thermochemical Data, Wiley & Sons, NY.
24. Cottrell, T.L. (1954), The Strength of Chemical Bonds, Academic Press, Inc., New York.
25. Luft, N.W. (1955), Monash, 86, 474.
26. Benson, S.W. (1968), Thermochemical Data, Wiley & Sons, NY.
27. Franklin, J.L. and H.E. Lumpkin (1952), J. Am. Chem. Soc., 74, 1023.
28. Pickering, T.L. (1966), Ph.D. Thesis, Princeton.
29. Kende, I., T.L. Pickering and A.V. Tobolsky (1965), J. Am. Chem. Soc., 87, 5582.
30. Meyer, M. (1992), J. Mol. Struct., 273, 99-121.