Design criteria for star polymer formation processes via living free radical polymerization

Chaffey-Millar, H., Stenzel, M. H., Davis, T. P., Coote, M. L., & Barner-Kowollik, C. (2006) Design criteria for star polymer formation processes via living free radical polymerization. Macromolecules, 39(19).

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Abstract

The kinetics of reversible addition-fragmentation chain transfer (RAFT), R-group approach star polymerizations have been studied via a combined experimental and theoretical approach. From the improved understanding herein developed, design criteria have been suggested to aid in future syntheses of RAFT, R-group approach star polymer. The suggested criteria are as follows. To minimize the quantity of linear polymer in the system, it is important to have a high rate of monomer propagation but a small delivery of radicals to the system. Crucial to the prevention of star-star coupling and resulting molecular weight distribution (MWD) broadening is the minimization of radical termination events between star molecules. Noting that the number of termination events is directly correlated to the number of decomposed initiator molecules, this might be achieved via several methods. A slow rate of initiator decomposition, a fast rate of propagation, or use of a rate-retarding RAFT agent can all lead to a reduction in star-star coupling events. Additionally, simulations reported herein demonstrate that the use of a star-forming RAFT agent substrate which has a fewer number of arms will lead to a reduction in the concentration of star-star coupled products. Ab initio calculations have been used to study intramolecular RAFT equilibria occurring early in the preequilibrium. These calculations have shown that highly stable intramolecular adduct radicals might be formed due to the close proximity of radicals and S=C bonds. The effect of these on the kinetics is studied. © 2006 American Chemical Society.

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ID Code: 99123
Item Type: Journal Article
Refereed: Yes
Additional Information: Cited By :68
Export Date: 5 September 2016
CODEN: MAMOB
Correspondence Address: Barner-Kowollik, C.; Center for Advanced Macromolecular Design, School of Chemical Sciences and Engineering, University of New South Wales, Sydney, NSW 2052, Australia; email: camd@unsw.edu.au
References: Wang, J.-S., Matyjaszewski, K., (1995) J. Am. Chem. Soc., pp. 5614-5615; Haddleton, D.M., Crossman, M.C., Dana, B.H., Duncalf, D.J., Heming, A.M., Kukulj, D., Shooter, A.J., (1999) Macromolecules, 32, pp. 2110-2119; Hawker, C.J., Bosman, A.W., Harth, E., (2001) Chem. Rev., 101, pp. 3661-3688; Chong, B.Y.K., Krstina, J., Le, T.P.T., Moad, G., Postma, A., Rizzardo, E., Thang, S.H., (2003) Macromolecules, 36, pp. 2256-2272; Calitz, F.M., Tonge, M.P., Sanderson, R.D., (2003) Macromolecules, 36, pp. 5-8; Moad, G., Rizzardo, E., Thang, S.H., (2005) Aust. J. Chem., 58, pp. 379-410; Chiefari, J., Mayadunne, R.T.A., Moad, C.L., Moad, G., Rizzardo, E., Postma, A., Skidmore, M.A., Thang, S.H., (2003) Macromolecules, 36, pp. 2273-2283; Barner, L., Barner-Kowollik, C., Davis, T.P., Stenzel, M.H., (2004) Aust. J. Chem., 57, pp. 19-24; Perrier, S., Takolpuckdee, P., (2005) J. Polym. Sci., Part A: Polym. Chem., 43, pp. 5347-5393; Feng, X.-S., Pan, C.-Y., (2002) Macromolecules, 35, pp. 2084-2089; Stenzel-Rosenbaum, M., Davis, T.P., Chen, V., Fane, A.G., (2001) J. Polym. Sci., Part A: Polym. Chem., 39, pp. 2777-2783; Matyjaszewski, K., Miller, P.J., Pyun, J., Kickelbick, G., Diamanti, S., (1999) Macromolecules, 32, pp. 6526-6535; Radke, W., Gerbera, J., Wittmann, G., (2003) Polymer, 44, pp. 519-525; Pyun, J., Rees, I., Fréchet, J.M.J., Hawker, C.J., (2003) Aust. J. Chem., 56, pp. 775-782; Angot, S., Murthy, K.S., Taton, D., Gnanou, Y., (1998) Macromolecules, 31, pp. 7218-7225; Ueda, J., Kamigaito, M., Sawamoto, M., (1998) Macromolecules, 31, pp. 6762-6768; Jesberger, M., Barner, L., Stenzel, M.H., Malmström, E., Davis, T.P., Barner-Kowollik, C., (2003) J. Polym. Sci., Part A: Polym. Chem., 41, pp. 3847-3861; Hao, X., Nilsson, C., Jesberger, M., Stenzel, M.H., Malmström, E., Davis, T.P., Östmark, E., Barner-Kowollik, C., (2004) J. Polym. Sci., Part A: Polym. Chem., 42, pp. 5877-5890; Bernard, J., Favier, A., Zhang, L., Nilasaroya, A., Davis, T.P., Barner-Kowollik, C., Stenzel, M.H., (2005) Macromolecules, 38, pp. 5475-5484; Stenzel, M.H., Davis, T.P., (2002) J. Polym. Sci., Part A: Polym. Chem., 40, pp. 4498-4512; Chaffey-Millar, H., Busch, M., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2005) Macromol. Theory Simul., 14, pp. 143-157; Ah Toy, A., Vana, P., Davis, T.P., Barner-Kowollik, C., (2004) Macromolecules, 37, pp. 744-751; Barner-Kowollik, C., Coote, M.L., Davis, T.P., Radom, L., Vana, P., (2003) J. Polym. Sci., Part A: Polym. Chem., 41, pp. 2828-2832; Feldermann, A., Coote, M.L., Stenzel, M.H., Davis, T.P., Barner-Kowollik, C., (2004) J. Am. Chem. Soc., 126, pp. 15915-15923; Feldermann, A., Ah Toy, A., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2005) Polymer, 46, pp. 8448-8457; Barner-Kowollik, C., Buback, M., Charleux, B., Coote, M.L., Drache, M., Fukuda, T., Goto, A., Vana, P., J. Polym. Sci., Part A: Polym. Chem., , in press; Barner-Kowollik, C., Quinn, J.F., Morsley, D.R., Davis, T.P., (2001) J. Polym. Sci., Part A: Polym. Chem., 39, pp. 1353-1365; Le, T.P., Moad, G., Rizzardo, E., Thang, S.H., (1998) PCT Int. Appl. WO 9801478, 88p; Zimm, B.H., Stockmayer, W.H., (1949) J. Chem. Phys., 17, pp. 1301-1314; Radke, W., (2001) Macromol. Theory Simul., 10, pp. 668-675; Wulkow, M., Busch, M., Davis, T.P., Barner-Kowollik, C., (2004) J. Polym. Sci., Part A: Polym. Chem., 42, pp. 1441-1448; Wulkow, M., (1996) Macromol. Theory Simul., 5, pp. 393-416; Buback, M., Huckestein, B., Kuchta, F., Russell, G., Schmid, E., (1994) Macromol. Chem. Phys., 195, pp. 2117-2140; Vana, P., Davis, T.P., Barner-Kowollik, C., (2002) Macromol. Theory Simul., 11, pp. 823-835; Buback, M., Kuchta, F., (1997) Macromol. Chem. Phys., 198, pp. 1455-1480; Buback, M., Gilbert, R.G., Hutchinson, R.A., Kulperman, B., Kuchta, F.-D., Manders, B.G., O'Driscoll, K.F., Schweer, J., (1995) Macromol. Chem. Phys., 196, pp. 3267-3280; Patnode, W., Scheiber, W.J., (1939) J. Am. Chem. Soc., 61, pp. 3445-3448; Theis, A., Davis, T.P., Stenzel, M.H., Barner-Kowollik, C., (2006) Polymer, 47, pp. 999-1010; Coote, M.L., Molecular orbital theory for free-radical polymerisation (2004) Encyclopedia of Polymer Science and Technology, , Kroschwitz, J. I. Ed.; Wiley: New York; Atkins, P., De Paula, J., (2001) Physical Chemistry, , Oxford University Press: New York; Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Pople, J.A., (1998) Gaussian 98, Revision A.11.3, , Gaussian, Inc.: Pittsburgh, PA; Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Pople, J.A., (2003) Gaussian 03, , Gaussian, Inc.: Pittsburgh, PA; Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.J., Koseki, S., J., A.M., (1993) J. Comput. Chem., 14, pp. 1347-1363; Bernhardsson, A., Berning, A., Celani, P., Cooper, D.L., Deegan, M.J.O., Dobbyn, A.J., Eckert, F., Thorsteinsson, T., MOLPRO 2000.6 (1993) J. Comput. Chem., 14, pp. 1347-1363. , 1999. J. A. M. J; Izgorodina, E.I., Coote, M.L., (2006) J. Phys. Chem. A, 110, pp. 2486-2492; Parthiban, S., Martin, J.M.L., (2001) J. Chem. Phys., 114, pp. 6014-6029; Martin, J.M.L., De Oliveira, G., (1999) J. Chem. Phys., pp. 1843-1856; Hong, C.-Y., You, Y.-Z., Liu, J., Pan, C.-Y., (2005) J. Polym. Sci., Part A: Polym. Chem., 43, pp. 6379-6393; Goto, A., Fukuda, T., (2004) Prog. Polym. Sci., 29, pp. 329-385; Wang, A.R., Zhu, S., Kwak, Y., Goto, A., Fukuda, T., Monteiro, M.S., (2003) J. Polym. Sci., Part A: Polym. Chem., 41, pp. 2833-2839; Barner-Kowollik, C., Vana, P., Quinn, J.F., Davis, T.P., (2002) J. Polym. Sci., Part A: Polym. Chem., 40, pp. 1058-1063; Barner-Kowollik, C., Vana, P., Davis, T.P., The kinetics of radical polymerization (2002) Handbook of Radical Polymerisation, p. 208. , Matyjaszewski, K., Davis, T. P., Eds.; John Wiley and Sons: New York; Wilemski, G., Fixman, M., (1973) J. Chem. Phys., 60, pp. 866-877; Ortiz-Repiso, M., Freire, J.J., Rey, A., (1998) Macromolecules, 31, pp. 8356-8362; Klenin, K.V., Langowskia, J., (2004) J. Chem. Phys., 121, pp. 4951-4961; Ortiz-Repiso, M., Rey, A., (1998) Macromolecules, 31, pp. 8363-8369; Polymer Handbook, 4th Ed., pp. II/103. , Brandrup, J., Immergut, E. H. E., Grulke, A., Eds.; John Wiley and Sons: New York, p II/103; Hutchinson, R.A., J., A.P., McMinn, J.H., Beuermann, S., Fuller, R.E., Jackson, C., (1995) DECHEMA Monogr., 131, pp. 467-492; Favier, A., Barner-Kowollik, C., Davis, T.P., Stenzel, M.H., (2004) Macromol. Chem. Phys., 205, pp. 925-936; Stenzel, M.H., Cummins, L., Roberts, G.E., Davis, T.R., Vana, P., Barner-Kowollik, C., (2003) Macromol. Chem. Phys., 204, pp. 1160-1168; Bernard, J., Favier, A., Davis, T.P., Barner-Kowollik, C., Stenzel, M.H., (2006) Polymer, 47, pp. 1073-1080; Coote, M.L., Izgorodina, E.I., Krenske, E.H., Busch, M., BarnerKowollik, C., (2006) Macromol. Rapid Commun., 27, pp. 1015-1022; Mayadunne, R.T.A., Jeffery, J., Moad, G., Rizzardo, E., (2003) Macromolecules, 36, pp. 1505-1513
Keywords: Living free radical polymerization, Polymer formation processes, Reversible addition fragmentation chain transfer (RAFT), Computer simulation, Decomposition, Living polymerization, Molecular weight distribution, Monomers, Reaction kinetics, Organic polymers
DOI: 10.1021/ma060964w
ISSN: 00249297
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > Institutes > Institute for Future Environments
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 22 Sep 2016 04:50
Last Modified: 30 Sep 2016 01:16

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