Modeling the Product Composition During Controlled Radical Polymerizations with Mono- and Bifunctional Alkoxyamines. Drache, M. Macromol Symp, 275-276(1):52–58, 2009.
Modeling the Product Composition During Controlled Radical Polymerizations with Mono- and Bifunctional Alkoxyamines [link]Paper  doi  abstract   bibtex   
The objective of this paper is to present a kinetic model for simulating the nitroxide controlled radical polymerization initiated with mono- and bifunctional alkoxyamines. The model approach was validated by experimental data. The simulated product composition mainly depends on the equilibrium constants K (=kd/kc) of dissociation/combination reaction between dormant and active species. Our investigations include polymerizations under stationary state conditions (nitroxide TEMPO) and in the kinetic regime of persistent radical effect (nitroxide BIPNO). Combination reactions of the propagating radicals cause loss of functionality and dormant chains. The applied Monte Carlo approach provides detailed information about the microstructure of the reaction products.
@Article{drache09modeling,
  author    = {Drache, Marco},
  title     = {Modeling the {Product} {Composition} {During} {Controlled} {Radical} {Polymerizations} with {Mono}- and {Bifunctional} {Alkoxyamines}},
  journal   = {Macromol Symp},
  year      = {2009},
  volume    = {275-276},
  number    = {1},
  pages     = {52--58},
  issn      = {1521-3900},
  abstract  = {The objective of this paper is to present a kinetic model for simulating the nitroxide controlled radical polymerization initiated with mono- and bifunctional alkoxyamines. The model approach was validated by experimental data. The simulated product composition mainly depends on the equilibrium constants K (=kd/kc) of dissociation/combination reaction between dormant and active species. Our investigations include polymerizations under stationary state conditions (nitroxide TEMPO) and in the kinetic regime of persistent radical effect (nitroxide BIPNO). Combination reactions of the propagating radicals cause loss of functionality and dormant chains. The applied Monte Carlo approach provides detailed information about the microstructure of the reaction products.},
  copyright = {Copyright {\textcopyright} 2009 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim},
  doi       = {10.1002/masy.200950106},
  keywords  = {Monte Carlo simulation, alkoxyamine, controlled radical polymerization, polymer chemistry},
  owner     = {martin},
  timestamp = {2016.05.31},
  url       = {http://onlinelibrary.wiley.com/doi/10.1002/masy.200950106/abstract},
  urldate   = {2016-05-31},
}

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