Mathematical modeling of molecular weight distribution in miniemulsion polymerization with oil‐soluble initiator

• Published in: AIChE journal Vol. 63; no. 6; pp. 2128 - 2140
• Main Authors: Capeletto, Claudia A., Costa, Cristiane, Sayer, Claudia, Araújo, Pedro H. H.
• Format: Journal Article
• Language: English
• Published: New York American Institute of Chemical Engineers 01-06-2017
• Subjects: Computer applications; Initiators; Integration; Kinetics; Mathematical analysis; Mathematical models; Molecular weight; Molecular weight distribution; Oil; Polymerization; Polymethyl methacrylate; Reaction kinetics; Styrene
• ISSN: 0001-1541; 1547-5905
• DOI: 10.1002/aic.15608

A mathematical model for the study of reaction kinetics and molecular weight distributions in miniemulsion polymerization systems with oil‐soluble initiators is presented. The mathematical model allows the computation of the evolution of the complete molecular weight distribution with chain lengths of up to 10
5
mers in miniemulsion polymerization by direct integration in reasonable computational time. Also, no restriction in the kinetic regime is needed, as the model is able to represent both compartmentalized and pseud‐bulk systems. The model was validated with experimental results for methyl methacrylate and styrene homopolymerizations, with two different oil‐soluble initiators, and adequately represented both the kinetics and molecular weight distributions of these systems. © 2017 American Institute of Chemical Engineers
AIChE J
, 63: 2128–2140, 2017