Diffusion coefficients of additives in polymers. I. Correlation with geometric parameters

Diffusion coefficients of a broad range of molecules with molecular weight ranging from 100 to 800 g/mol have been measured in polypropylene, by solid/solid contact methods (without liquid contact), at 40°C. The behaviors of the different molecules are compared to those of linear alkanes. The diffusion coefficients are correlated to parameters describing size, shape, and flexibility of the molecules. The concept of weighted fractionated volume is introduced using molecular modeling. It enables the classification of the molecules according to modes of molecule displacement (crawling, jumps, or dual mode).