Improved Numerical Inversion Methods for the Recovery of Bivariate Distributions of Polymer Properties from 2D Probability Generating Function Domains.

BRANDOLIN, ADRIANA; BALBUENO, AYSLANE ASSINI; ASTEASUAIN, MARIANO

COMPUTERS AND CHEMICAL ENGINEERING

PERGAMON-ELSEVIER SCIENCE LTD

Lugar: Amsterdam; Año: 2016 vol. 94 p. 272 - 286

0098-1354

The 2D probability-generating function technique is a powerful method for modeling bivariate distributions of polymer properties. It is based on the transformation of bivariate population balance equations using 2D probability generating functions (pgf) followed by a recovery of the distributions from the transform domain by numerical inversion. A key step of this method is the inversion of the pgf transforms. Available numerical inversion methods yield excellent results for pgf transforms of distributions with independent dimensions with similar orders of magnitude, for example bivariate molecular weight distributions in copolymerization systems. However, numerical problems are found for 2D distributions in which the independent dimensions have very different ranges of values, such as the molecular weight distribution-branching distribution in branched polymers. In this work, two new 2D pgf inversion methods are developed, which regard the pgf as a complex variable. The superior accuracy of these innovative methods makes them suitable for recovering any type of bivariate distribution. This enhances the capabilities of the 2D pgf modeling technique for simulation and optimization of polymer processes. An application example of the technique in a polymeric system of industrial interest is presented.