Monte-carlo simulation of branching distribution in Ni-diimine catalyzed polyethylene

AIChE Journal

Volumn 46, Issue 6, 2000, Pages 1234-1240

  Simon, Leonardo C ^a   Soares, Joao B P ^a   De Souza, Roberto F ^a,b  

^a UNIVERSITY OF WATERLOO   (Canada)

^b FEDERAL UNIVERSITY OF RIO GRANDE DO SUL   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; COMPUTER SIMULATION; ISOMERIZATION; MATHEMATICAL MODELS; MOLECULAR WEIGHT; MONOMERS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYETHYLENES; REACTION KINETICS;

BETA TRANSFER PARAMETERS; BRANCHING DISTRIBUTION; CHAIN WALKING MECHANISM; DIIMINE;

CATALYSIS;

IMINE; NICKEL; POLYETHYLENE;

ARTICLE; CATALYSIS; CATALYST; CHEMICAL STRUCTURE; ISOMERISM; MODEL; POLYMERIZATION; PROTON TRANSPORT; SYSTEM ANALYSIS;

EID: 0033916960     PISSN: 00011541     EISSN: None     Source Type: Journal    
DOI: 10.1002/aic.690460615     Document Type: Article

References (19)

1. Brookhart, M., L. K. Johnson, C. M. Killian, S. Mecking, and D. J. Tempel, "Palladium(II)-and Nickel(II)-Catalyzed Olefin Polymerization," Poly. Preprint - Amer. Chem. Soc. Div. Polyn. Chem., 37, 254 (1996).
2. 4 Olefinic Cuts," Chem. Ind., 375 (1974).
3. 6 Complex: New Catalyst Precursor for Ethylene Polymerization," Macromol. Rapid Commun., 18, 795 (1997).
4. Flory, P. J., Principles of Polymer Chemistry, Cornell Univ. Press, Ithaca, NY (1953).
5. 6 Complex," Macromol., 32, 1620 (1999).
6. Guan, Z., P. M. Cotts, E. F. McCord, and S. J. McLain, "Chain Walking: A New Strategy to Control Polymer Topology," Science, 283, 2059 (1999).
7. 13C NMR Characterization of Short Chain Branches of Nickel Catalyzed Polyethylene," Macromol., 32, 5471 (1999).
8. Hamielec, A. E., and J. B. P. Soares, "Polymerization Reaction Engineering - Metallocene Catalysis," Prog. Poly. Sci., 21, 651 (1996).
9. Johnson, L. K., C. M. Killian, and M. Brookhart, "New Pd(II)-and Ni(II)-Based Catalysts for Polymerization of Ethylene and α-Olefins," J. Amer. Chem. Soc., 117, 6414 (1995).
10. Keim, W., R. Appel, A. Storeck, C. Krueger, and R. Goddard, "Novel Nickel-and Palladium-Compexes with Aminobis(imino)phosphorane Ligands for the Polymerization of Ethylene," Angew. Chem. Int. Ed. Engl., 20, 116 (1981).
11. 13C and 2D NMR of Novel Ethylene and Olefin Polymers Made with New Late Metal Catalysts," Poly. Preprint - Amer. Chem. Soc. Div. Poly. Chem., 38, 772 (1997).
12. Minick, J., A. Moet, A. Hiltner, E. Baer, and S. P. Chum, "Crystallization of Very Low Density Copolymers of Ethylene with α-Olefins," J. Appl Poly. Sci., 58, 1371 (1995).
13. Morse, P. M., "New Catalysts Renew Polyolefins," Chem. Eng. News, 27, 11 (1998).
14. Olabisi, O., M. Atiqullah, and W. Kaminsky, "Group 4 Metallocenes: Supported and Unsupported Catalysts for Olefin Polymerization," J. Macromol. Sci. - Rev. Macromol. Chem. Phys., C37, 519 (1997).
15. Press, W. H., S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in C. The Art of Scientific Computing, Cambridge Univ. Press, New York (1992).
16. Schleis, T., T. P. Spaniol, J. Okuda, J. Heinemann, and R. Mulhaupt, "Ethylene Polymerization Catalysts Based on Nickel(II) 1,4 Diazadiene Complexes: The Influence of the 1,4-Diazadiene Backbone Substitutes on Structure and Reactivity," J. Organomet. Chem., 569, 159 (1998).
17. Simon, L. C., R. F. de Souza, and R. S. Mauler, "Effect of Alkylaluminum Cocatalyst on Ethylene Polymerization by Nickel-Diimine Complex," J. Poly. Sci. A: Polym. Chem., 37, 4656 (1999).
18. Soares, J. B. P., and A. E. Hamielec, "Metallocene/Aluminoxane Catalysts for Olefin Polymerization. A Review," Poly. React. Eng., 3, 131 (1995).
19. University of North Carolina and E. I. du Pont de Nemours and Co., Inc., Pat. Appl. WO 96-23,010 (1996).