Modeling of polymerization rate and microstructure in the anionic polymerization of isoprene using n-butyl lithium and N,N,N ',N '-tetramethylethylenediamine considering differe
Por:
Tenorio-López J.A., Benvenuta-Tapia J.J., Vivaldo-Lima E., Ríos-Enriquez M.Á., De Nieto-Peña M.L.
Publicada:
1 jul 2012
Resumen:
A mathematical model for the anionic polymerization of isoprene using n-butyl lithium (n-BuLi) as initiator and N,N,N',N'-tetramethylethylenediamine (TMEDA) as microstructure modifier, considering a system similar to a tetrapoly-merization and a scheme of reaction that considers that the active sites are different in configuration, has been developed. Experimental data of conversion versus time and structure development (1,4-cis, 1,4-trans, vinyl or isopropenyl units) were taken from the literature. Since 1,4-cis structural units are difficult to measure, directly, we used reports based on indirect measurements for natural polyisoprene. The cis structural unit fraction was varied from 0.1 to 0.9 (referred to cis+trans content) in order to provide enough data for parameter estimation purposes. Rate expressions for monomer consumption as well as microstructure and dyad development were obtained from the proposed scheme of reaction. The fraction of active sites and dyad distribution were
Filiaciones:
Tenorio-López J.A.:
Facultad de Ciencias Químicas, Universidad Veracruzana, Coatzacoalcos, Veracruz, Mexico
Benvenuta-Tapia J.J.:
Unidad de Desarrollo de Productos y Procesos, Resirene, S.A de C.V, Grupo Kuo. Carr. Federal Puebla-Tlaxcala, Km. 15.5, Tlaxcala, Mexico
Vivaldo-Lima E.:
Univ Nacl Autonoma Mexico, Dept Ingn Quim, Fac Quim, Mexico City 04510, DF, Mexico
Ríos-Enriquez M.Á.:
Facultad de Ciencias Químicas, Universidad Veracruzana, Coatzacoalcos, Veracruz, Mexico
De Nieto-Peña M.L.:
Facultad de Ciencias Químicas, Universidad Veracruzana, Coatzacoalcos, Veracruz, Mexico
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