"Living" free radical polymerization in tubular reactors. I. Modeling of the complete molecular weight distribution using probability generating functions

被引:25
作者
Asteasuain, Mariano
Soares, Matheus
Lenzi, Marcelo K.
Cunningham, Michael
Sarmoria, Claudia
Pinto, Jos Carlos
Brandolin, Adriana
机构
[1] Univ Nacl Sur, CONICET, Plant Pilot Ingn Quim, RA-8000 Bahia Blanca, Buenos Aires, Argentina
[2] Univ Fed Rio de Janeiro, COPPE, Program Engn Quim, BR-21945970 Rio De Janeiro, Brazil
[3] Univ Fed Rio de Janeiro, COPPE, Sect Technol, BR-81531990 Curitiba, Parana, Brazil
关键词
free radical; living polymerization; molecular weight distribution; modeling; probability generating functions; TRANSFORMED DOMAINS; CHAIN TRANSFER; STYRENE; KINETICS; SIMULATION; SEMIBATCH; RECOVERY;
D O I
10.1002/mren.200700026
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
This is the first of a series of works aiming at developing a tool for designing "living" free radical polymerization processes in tubular reactors, in order to achieve tailor-made MWDs. A mathematical model of the nitroxide-mediated controlled free radical polymerization is built and implemented to predict the complete MWD. It is shown that this objective may be achieved accurately and efficiently by means of the probability generating function (pgf) transformation. Comparison with experimental data is good. The potential of the resulting model for optimization activities involving the complete MWD is also shown.
引用
收藏
页码:622 / 634
页数:13
相关论文
共 37 条
[1]  
Asteasuain A, 2002, POLYMER, V43, P2529
[2]   Optimal operation of ethylene polymerization reactors for tailored molecular weight distribution [J].
Asteasuain, M. ;
Brandolin, A. .
JOURNAL OF APPLIED POLYMER SCIENCE, 2007, 105 (05) :2621-2630
[3]   Molecular weight distributions in styrene polymerization with asymmetric bifunctional initiators [J].
Asteasuain, M ;
Brandolin, A ;
Sarmoria, C .
POLYMER, 2004, 45 (01) :321-335
[4]  
Asteasuain M, 2003, LAT AM APPL RES, V33, P241
[5]   Controlled rheology of polypropylene: Modeling of molecular weight distributions [J].
Asteasuain, M ;
Sarmoria, C ;
Brandolin, A .
JOURNAL OF APPLIED POLYMER SCIENCE, 2003, 88 (07) :1676-1685
[6]   Recovery of molecular weight distributions from transformed domains. Part I. Application of pgf to mass balances describing reactions involving free radicals [J].
Asteasuain, M ;
Sarmoria, C ;
Brandolin, A .
POLYMER, 2002, 43 (08) :2513-2527
[7]  
ASTEASUAIN M, 2003, THESIS U NACL SUR BA
[8]   Detailed modeling, simulation, and parameter estimation of nitroxide mediated living free radical polymerization of styrene [J].
Bonilla, J ;
Saldívar, E ;
Flores-Tlacuabuac, A ;
Vivaldo-Lima, E ;
Pfaendner, R ;
Tiscareño-Lechuga, F .
POLYMER REACTION ENGINEERING, 2002, 10 (04) :227-263
[9]   Numerical inversion techniques in the recovery of molecular weight distribution expressed in different transformed domains.: Experimental validation [J].
Brandolin, A ;
Asteasuain, M ;
Sarmoria, C ;
López-Rodríguez, A ;
Whiteley, KS ;
Fernández, BD .
POLYMER ENGINEERING AND SCIENCE, 2001, 41 (07) :1156-1170
[10]   Controlled/living radical polymerization: Features, developments, and perspectives [J].
Braunecker, Wade A. ;
Matyjaszewski, Krzysztof .
PROGRESS IN POLYMER SCIENCE, 2007, 32 (01) :93-146