Molecular dynamics studies of the structure and properties of polymer nano-particles

Computational and Theoretical Polymer Science

Volumn 9, Issue 3-4, 1999, Pages 245-254

  Fukui, K ^a   Sumpter, B G ^a   Barnes, M D ^a   Noid, D W ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

Molecular dynamics; Nano particles; Polyethylene

Indexed keywords

COMPUTER SIMULATION; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; MORPHOLOGY; NANOSTRUCTURED MATERIALS; PARTICLES (PARTICULATE MATTER); POLYETHYLENES; THERMODYNAMIC PROPERTIES;

POLYMER NANOPARTICLES;

LATEXES;

POLYMER;

EID: 0032877913     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(99)00010-0     Document Type: Article

References (67)

1. Rigby D., Roe R.J. J Chem Phys. 87:1987;7285.
2. Rigby D., Roe R.J. J Chem Phys. 89:1988;5280.
3. Rigby D., Roe R.J. Macromolecules. 22:1989;2259.
4. Rigby D., Roe R.J. Macromolecules. 23:1990;5312.
5. Brown D., Clarke J.H.R. Macromolecules. 24:1991;2075.
6. Argon H.A.S., Suter U.W. Macromolecules. 26:1993;1097.
7. Fan C.F., Cagin T., Chen Z.M., Smith K.A. Macromolecules. 27:1994;2383.
8. Fan C.F., Hsu S.L. Macromolecules. 25:1992;266.
9. Sun Z., Morgan R.J., Lewis D.N. Polymer. 33:1991;2179.
10. Noid D.W., Pfeffer G.A. J Polym Sci B. 27:1989;2321.
11. Jin Y., Boyd R.H. J Chem Phys. 108:1998;9912.
12. Yamamoto T. J Chem Phys. 107:1997;2653.
13. Sumpter B.G., Noid D.W., Wunderlich B. J Chem Phys. 93:1990;6875.
14. Neyertz S., Brown D., Thomas J.O. J Chem Phys. 101:1994;10064.
15. Pant K.P.V., Boyd R.H. Macromolecules. 26:1993;679.
16. Han J., Boyd R.H. Macromolecules. 27:1993;5365.
17. Fukuda M., Kuwajima S. J Chem Phys. 107:1997;2149.
18. Koike A. Macromolecules. 31:1998;4605.
19. Hautman J., Klein M.L. Phys Rev Lett. 67:1991;1763.
20. Mar W., Klein M. J Phys Condensed Matter. 6:1994;A381.
21. Mansfield K.F., Theodorou D. Macromolecules. 23:1990;4430.
22. Mansfield K.F., Theodorou D. Macromolecules. 24:1991;6283.
23. Yang X., Mao X. Comput Theor Polym Sci. 7:1997;81.
24. Liu C., Muthukumar M. J Chem Phys. 103:1995;9053.
25. Zhan Y., Mattice W.L. Macromolecules. 27:1994;7056.
26. He D., Reneker D.H., Mattice W.L. Comput Theor Polym Sci. 7:1997;19.
27. Kung C-Y, Barnes MD, Sumpter BG, Noid DW, Otaigbe JU, submitted to J Chem Phys.
28. Kung C.-Y., Barnes M.D., Sumpter B.G., Noid D.W., Otaigbe J.U. Polym Prepr (ACS Div Polym Chem). 39:1998;610.
29. Kung C.-Y., Barnes M.D., Lermer N., Whitten W.B., Ramsey J.M. Anal Chem. 70:1998;658.
30. Barnes M.D., Lermer N., Kung C.-Y., Whitten W.B., Ramsey J.M. Optics Lett. 22:1997;1265.
31. Barnes M.D., Lermer N., Whitten W.B., Ramsey J.M. Rev. Sci. Instrum. 68:1997;2287.
32. Ichinose N., Ozaki Y., Kashu S. Superfine particle technology. 1992;Springer, London.
33. Hayashi C., Uyeda R., Tasaki A. Ultra-fine particles technology. 1997;Noyes, New Jersey.
34. Fukui K., Sumpter B.G., Barnes M.D., Noid D.W., Otaigbe J.U. Macromol Theor Simul. 8:1999;38.
35. Roy R., Sumpter B.G., Pfeffer G.A., Gray S.K., Noid D.W. Physics Report. 205:1991;109.
36. Roy R., Sumpter B.G, Noid D.W., Wunderlich B. J Phys Chem. 94:1990;5729.
37. Sumpter B.G, Noid D.W., Wunderlich B. Polymer. 31:1990;1254.
38. Sumpter B.G, Noid D.W., Wunderlich B, Cheng S.Z.D. Macromolecules. 23:1990;4671.
39. Hoover W.G. Ann Rev Phys Chem. 34:1983;103.
40. Klein M.L. Ann Rev Phys Chem. 36:1985;525.
41. Noid D.W, Sumpter B.G, Wunderlich B., Pfeffer G.A. J Comp Chem. 11:1990;236.
42. Gray S.K., Noid D.W., Sumpter B.G. J Chem Phys. 101:1994;4062.
43. Boyd R.H., Breitling S.M. Macromolecules. 7:1974;855.
44. Tanaka G., Mattice W.L. Macromolecules. 28:1995;1049.
45. Michel A., Kreitmer S. Comput Theor Polym Sci. 7:1997;113.
46. Kavassalis T.A., Sundarajan P.R. Macromolecules. 26:1993;4144.
47. de Pablo J.J., Laso M., Suter U.W. J Chem Phys. 96:1992;2395.
48. Martyna G.J., Klein M.L., Tuckerman M. J Chem Phys. 97:1992;2635.
49. Fukui K., Cline J.I., Frederick J.H. J Chem Phys. 107:1997;4551.
50. Burkert U., Allinger N.L. Molecular mechanics. 1982;American Chemical Society, Washington, DC.
51. Connolly M.L. J Am Chem Soc. 107:1993;1118.
52. Doucet J., Weber J. Computer-aided molecular design: theory and applications. 1996;Academic Press, San Diego.
53. Lewis M., Rees D.C. Science. 230:1985;1163.
54. Wunderlich B. Thermal analysis. 1990;Academic Press, San Diego.
55. Kreitmeier S.N., Liang G.L., Noid D.W., Sumpter B.G. J Therm Anal. 46:1996;853.
56. Hor T., Wade Adams W., Pachter R., Haaland P. Polymer. 34:1993;2481.
57. Crist B., Herena P.G. J Polym Sci B Polym Phys. 34:1996;449.
58. Suhai S. J Polym Sci Polym Phys Edu. 21:1983;1341.
59. Meier R.J. Macromolecules. 26:1993;4376.
60. Hageman J.C.L., Meier R.J., Heinemann M., de Groot R.A. Macromolecules. 30:1997;5953.
61. Shoemaker J., Horn T., Haaland P., Pachter R., Adams W.W. Polymer. 33:1992;3351.
62. Nielen L.E. Mechanical properties of polymers and composites. 1974;Marcel Dekker, New York.
63. Porte D. Group interaction modelling of polymer properties. 1995;Marcel Dekker, New York.
64. Fukui K, Sumpter BG, Runge K, Kung C-Y, Barnes MD, Noid D., submitted to Chem Phys.
65. Fukui K, Sumpter BG, Barnes MD, Noid DW. in preparation.
66. Runge K., Sumpter B.G., Barnes M.D., Noid D.W. J Chem Phys. 110:1999;594.
67. Karasawa N., Dasgupta S., Goddard W.A. III. J Phys Chem. 95:1991;2260.