INTEC   05402
INSTITUTO DE DESARROLLO TECNOLOGICO PARA LA INDUSTRIA QUIMICA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Mathematical Model for the Bulk Polymerization of Styrene in the Presence of Polybutadiene Using a Trifunctional Initiator
Autor/es:
EMILIO BERKENWALD; GRACIELA MORALES; DIANA ESTENOZ
Lugar:
San Francisco
Reunión:
Conferencia; 2013 Annual Meeting American Institute of Chemical Engineers (AIChE); 2013
Institución organizadora:
AIChE
Resumen:
A detailed mathematical model for the bulk polymerization of styrene in
the presence of polybutadiene using the trifunctional initiator diethyl ketone
triperoxide (DEKTP) was developed with the aim of simulating a bulk high-impact
polystyrene (HIPS) process. The model predicts the evolution of the chemical
species and the detailed molecular structures in the course of the
polymerization and is based on a kinetic mechanism that considers chemical and
thermal initiation, propagation, transfer to the monomer, transfer to the
rubber, termination by combination and re-initiation reactions, together with volume
contraction and gel effect. Simulation predicts the concentration of di- and
monoradicals as well as the concentration of polymeric species for free
polystyrene, residual polybutadiene and graft copolymer, characterized by both
chain length and number of undecomposed peroxide groups. The continous model
allows obtaning the complete molecular weight distributions and detailed
composition of the resulting polymeric species in very short simulation times.
The model was adjusted and validated using experimental data corresponding to a
batch HIPS process using DEKTP at different temperatures (120-130 ºC) and
different initiator concentrations (0.79 ? 3.12 mmol/L). Conversion, average
molecular weights of free polystyrene, product composition and grafting efficiency
were measured from samples taken along the reaction. Theoretical estimates of
the proposed mathematical model are in very good agreement with the
measurements.