Full Bivariate MWD in RAFT Copolymerization using Probability Generating Functions

FORTUNATTI, CECILIA; BRANDOLIN, ADRIANA; SARMORIA, CLAUDIA; ASTEASUAIN, MARIANO

Computer Aided Chemical Engineering

Elsevier B.V.

Año: 2014 vol. 33 p. 211 - 216

1570-7946

In this work, we develop a model for RAFT copolymerization able to predict the full bivariate molecular weight distribution (MWD). To the best of our knowledge, this is the first model to do so. For this purpose, the 2D probability generating functions (pgf) technique was used. Our results show that the pgf technique allows obtaining the bivariate MWD without simplifying assumptions or any a priori knowledge of the MWD shape. In this way, the model provides useful information about the copolymer molecular structure and can aid scientific and industrial practitioners to establish design parameters and operating policies to produce desired copolymer structures. Moreover, the results underline the importance of simulation as a powerful tool in process design. © 2014 Elsevier B.V.