Computer simulation of polyolefin interfaces

Computational and Theoretical Polymer Science

Volumn 9, Issue 3-4, 1999, Pages 261-270

  Clancy, T C ^a   Mattice, W L ^a  

^a The University of Akron   (United States)

Author keywords

Atomistic computer simulation; Local intramolecular energetic terms; Polyolefin interfaces

Indexed keywords

AMORPHOUS MATERIALS; COPOLYMERS; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PLASTIC FILMS; POLYETHYLENES; POLYPROPYLENES; SOLUBILITY; SURFACE TENSION; THIN FILMS; VAN DER WAALS FORCES;

ATOMISTIC COMPUTER SIMULATION; POLYETHYLENE PROPYLENE;

POLYOLEFINS;

POLYMER;

EID: 0032830237     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(99)00013-6     Document Type: Article

References (19)

1. Graessley W.W., Krishnamoorti R., Balsara N.P., Lohse D.J. Structural origin of thermodynamic interactions in blends of saturated hydrocarbon polymers. Macromolecules. 27:1994;3073-3081.
2. Krishnamoorti R., Graessley W.W., Fetters L.J., Garner R.T., Lohse D.J. Anomalous mixing behavior of polyisobutylene with other polyolefins. Macromolecules. 28:1995;1252-1259.
3. Graessley W.W., Krishnamoorti R., Reichart G.C., Balsara N.P., Fetters L.J., Lohse D.J. Regular and irregular mixing in blends of saturated hydrocarbon polymers. Macromolecules. 28:1995;1260-1270.
4. Krishnamoorti R., Graessley W.W., Dee G.T., Walsh D.J., Fetters L.J., Lohse D.J. Pure component properties and mixing behavior in polyolefin blends. Macromolecules. 29:1996;367-376.
5. Londono J.D., Habenschuss A., Curro J.G., Rajesekaran J.J. Short-range order in some polymer melts from X-ray diffraction. J Poly Sci B. 34:1996;3055-3061.
6. Reichart G.C., Graessley W.W., Register R.A., Krishnamoorti R., Lohse D.J. Anomalous attractive interactions in polypropylene blends. Macromolecules. 30:1997;3036-3041.
7. Weimann P.A., Jones T.D., Hillmyer M.A., Bates F.S., Londono J.D., Melnichenko Y., Wignall G.D., Almdal K. Phase behavior of isotactic polypropylene-poly(ethylene/ethylethylene) random copolymer blends. Macromolecules. 30:1997;3650-3657.
8. Curro J.G., Schweizer K.S. An integral equation theory of polymer blends: athermal mixtures. Macromolecules. 23:1990;1402-1411.
9. Fredrickson G.H., Liu A.J., Bates F.S. Entropic corrections to the Flory-Huggins theory of polymer blends: architectural and conformational effects. Macromolecules. 27:1994;2503-2511.
10. Bidkar U.R., Sanchez I.C. Neutron scattering form compressible polymer blends: a framework for experimental analysis and interpretation of interaction parameters. Macromolecules. 28:1995;3963-3972.
11. Dudowicz J., Freed K.F. Influence of monomer structure and interaciton asymmertries on the miscibility and interfacial properties of polyolefin blends. Macromolecules. 29:1996;8960-8972.
12. Natarajan U., Misra S., Mattice W.L. Atomistic simulation of a polymer-polymer interface: interfacial energy and work of adhesion. Comp Theor Polym Sci. 8:1998;323-329.
13. Theodorou D.N., Suter U.W. Detailed structure of a vinyl polymer glass. Macromolecules. 18:1985;1467-1478.
14. Misra S., Fleming P.D., Mattice W.L. Structure and energy of thin films of poly-(1,4-cis-butadiene): a new atomistic approach. J Comput Aided Mater Des. 2:1995;101-112.
15. Natarajan U., Tanaka G., Mattice W.L. Atomistic simulations of the surfaces of thin films of random copolymers. J Comput Aided Mater Des. 4:1997;193-205.
16. He D., Reneker D.H., Mattice W.L. Fully atomistic models of the surface of amorphous polyethylene. Comput Theor Polym Sci. 7:1997;19-24.
17. Doruker P., Mattice W.L. Simulation of polyethylene thin films on a high coordination lattice. Macromolecules. 31:1998;1418-1426.
18. Mansfield K., Theodorou D.T. Atomistic simulation of a glassy polymer surface. Macromolecules. 23:1990;4430-4445.
19. Stamm M., Schubert D.W. Interfaces between incompatible polymers. Ann Rev Mater Sci. 25:1995;325-356.