Molecular dynamics and dissipative particle dynamics simulations for the miscibility of poly(ethylene oxide)/poly(vinyl chloride) blends

Polymer

Volumn 51, Issue 1, 2010, Pages 291-299

  Luo, Zhonglin ^a   Jiang, Jianwen ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Miscibility; PEO; PVC

Indexed keywords

ATOMS; CHLORINE COMPOUNDS; DISTRIBUTION FUNCTIONS; ETHYLENE; GLASS TRANSITION; HYDROGEN BONDS; PHASE SEPARATION; POLYETHYLENE OXIDES; POLYVINYL CHLORIDES; SOLUBILITY; VAN DER WAALS FORCES;

ATOMISTIC MOLECULAR DYNAMICS; COHESIVE ENERGY DENSITY; CRYSTALLIZATION TEMPERATURE; DISSIPATIVE PARTICLE DYNAMICS SIMULATION; FLORY-HUGGINS PARAMETER; POLY (ETHYLENE OXIDE) (PEO); RADIAL DISTRIBUTION FUNCTIONS; VAN DER WAALS ENERGIES;

MOLECULAR DYNAMICS;

CRYSTALLIZATION; PHASE SEPARATION; POLYETHYLENE OXIDE; POLYMER BLEND; POLYVINYL CHLORIDE; SIMULATION;

EID: 72249097075     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2009.11.024     Document Type: Article

References (50)

1. Lin H., and Freeman B.D. Journal of Membrane Science 239 (2004) 105
2. Lin H.Q., and Freeman B.D. Journal of Molecular Structure 739 (2005) 57
3. Alangari A.A., Kennerley J.W., and Newton J.M. Journal of Pharmacy and Pharmacology 37 (1985) 151
4. Al-Nasassrah M.A., Podczeck F., and Newton J.M. European Journal of Pharmaceutics and Biopharmaceutics 46 (1998) 31
5. Hirayama Y., Kase Y., Tanihara N., Sumiyama Y., Kusuki Y., and Haraya K. Journal of Membrane Science 160 (1999) 87
6. Lin H.Q., Van Wagner E., Swinnea J.S., Freeman B.D., Pas S.J., Hill A.J., et al. Journal of Membrane Science 276 (2006) 145
7. Bondar V.I., Freeman B.D., and Pinnau I. Journal of Polymer Science, Part B: Polymer Physics 37 (1999) 2463
8. Bondar V.I., Freeman B.D., and Pinnau I. Journal of Polymer Science, Part B: Polymer Physics 38 (2000) 2051
9. Kawakami M., Iwanaga H., Hara Y., Iwamoto M., and Kagawa S. Journal of Applied Polymer Science 27 (1982) 2387
10. Li J.T., Wang S.C., Nagai K., Nakagawa T., and Mau A.W.H. Journal of Membrane Science 138 (1998) 143
11. Li J.T., Nagai K., Nakagawa T., and Wang S. Journal of Applied Polymer Science 58 (1995) 1455
12. Brandrup J., Immergut E.H., Grulke E.A., Abe A., and Bloch D. Polymer handbook. 4th ed. (1999), Wiley-Interscience
13. Ramesh S., Winie T., and Arof A.K. European Polymer Journal 43 (2007) 1963
14. Castro R.E.N., Toledo E.A., Rubira A.F., and Muniz E.C. Journal of Materials Science 38 (2003) 699
15. Marco C., Gómez M.A., Fatou J.G., Etxeberria A., Elorza M.M., and Iruin J.J. European Polymer Journal 29 (1993) 1477
16. Katime I.A., Anasagasti M.S., Peleteiro M.C., and Valenciano R. European Polymer Journal 23 (1987) 907
17. Sadeghi M., Chenar M.P., Rahimian M., Moradi S., and Dehaghani A.H.S. Journal of Applied Polymer Science 110 (2008) 1093
18. Etxeberria A., Elorza J.M., Iruin J.J., Marco C., Gómez M.A., and Fatou J.G. European Polymer Journal 29 (1993) 1483
19. Neiro S.M.D., Dragunski D.C., Rubira A.F., and Muniz E.C. European Polymer Journal 36 (2000) 583
20. Ramesh S., Yahaya A.H., and Arof A.K. Solid State Ionics 148 (2002) 483
21. Margaritis A.G., and Kalfoglou N.K. Journal of Polymer Science, Part B: Polymer Physics 26 (1988) 1595
22. Materials studio 4.3 (2008), Accelrys, San Diego
23. Theodorou D.N., and Suter U.W. Macromolecules 18 (1985) 1467
24. Theodorou D.N., and Suter U.W. Macromolecules 19 (1986) 139
25. Meirovitch H. Journal of Chemical Physics 79 (1983) 502
26. Sun H. Journal of Physical Chemistry B 102 (1998) 7338
27. Rigby D., Sun H., and Eichinger B.E. Polymer International 44 (1997) 311
28. Sun H., Ren P., and Fried J.R. Computational and Theoretical Polymer Science 8 (1998) 229
29. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., Dinola A., and Haak J.R. Journal of Chemical Physics 81 (1984) 3684
30. Bicerano J. Prediction of polymer properties. 3rd ed. (2002), Marcel Dekker Inc, New York
31. Hoogerbrugge P.J., and Koelman J.M.V.A. Europhysics Letters 19 (1992) 155
32. Groot R.D., and Warren P.B. Journal of Chemical Physics 107 (1997) 4423
33. Spyriouni T., and Vergelati C. Macromolecules 34 (2001) 5306
34. Jawalkar S.S., Adoor S.G., Sairam M., Nadagouda M.N., and Aminabhavi T.M. Journal of Physical Chemistry B 109 (2005) 15611
35. Ahmadi A., and Freire J.J. Polymer 50 (2009) 4973
36. Jawalkar S.S., and Aminabhavi T.M. Polymer 47 (2006) 8061
37. Yang H., Li Z.S., Qian H.J., Yang Y.B., Zhang X.B., and Sun C.C. Polymer 45 (2004) 453
38. Yang H., Li Z.S., Lu Z.Y., and Sun C.C. European Polymer Journal 41 (2005) 2956
39. Mark J.E. Polymer data handbook. 3rd ed. (1999), Oxford University Press, USA
40. Faucher J.A., Koleske J.V., Santee Jr. E.R., Stratta J.J., and Wilson III C.W. Journal of Applied Physics 37 (1966) 3962
41. Abou-Rachid H., Lussier L.S., Ringuette S., Lafleur-Lambert X., Jaidann M., and Brisson J. Propellants Explosives Pyrotechnics 33 (2008) 301
42. Mason J.A., and Sperling L.H. Polymer blends and composites (1976), Plenum Press, New York
43. Case F.H., and Honeycutt J.D. Trends in Polymer Science 2 (1994) 259
44. Huang X.D., and Goh S.H. Polymer 43 (2002) 1417
45. Akten E.D., and Mattice W.L. Macromolecules 34 (2001) 3389
46. Gestoso P., and Brisson J. Polymer 44 (2003) 2321
47. Suknuntha K., Tantishaiyakul V., Vao-Soongnern V., Espidel Y., and Cosgrove T. Journal of Polymer Science, Part B: Polymer Physics 46 (2008) 1258
48. Lodge T.P., and McLeish T.C.B. Macromolecules 33 (2000) 5278
49. He Y.Y., Lutz T.R., and Ediger M.D. Journal of Chemical Physics 119 (2003) 9956
50. May A.F., and Maranas J.K. Journal of Chemical Physics 125 (2006) 024906