Theory for the diffusion of large molecules in amorphous polymers. Application to the PVC-plasticizer systems

Christopher Coughlin, K. A. Mauritz, R. F. Storey

Research output: Contribution to journalConference articlepeer-review

1 Scopus citations


The diffusion of large molecules within polymers is a subject of great technological importance from both standpoints of processing and useful properties. In the present context, a penetrant molecule is considered to be 'large' if its size exceeds that of a chain segment of the host polymer by a reasonable amount. The authors have initiate a penetrant shape-dependent, largely free volume-based diffusion model that utilizes theoretical conformational analysis to generate specific low-energy penetrant molecular shapes and predict diffusion coefficients (D) for large diffusants within amorphous polymers, that can also be either crosslinked or semicrystalline, above their glass transition temperatures. The underlying theory has been presented in earlier reports by K.A. Mauritz et al. In this paper, the general equations developed in the model, as well as the technique of theoretical conformational analysis, to calculate, a priori, values of the diffusion coefficient for selected members of a homologous series of di-n-alkylphthalate plasticizers have been applied and then these results are compared with previously-reported experimental diffusion data for these systems.

Original languageEnglish (US)
Pages (from-to)171-175
Number of pages5
JournalPolymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Materials Science and Engineering
StatePublished - Dec 1 1989
EventProceedings of the ACS Division of Polymeric Materials: Science and Engineering - Miami Beach, FL, USA
Duration: Sep 11 1989Sep 18 1989

All Science Journal Classification (ASJC) codes

  • Chemical Engineering (miscellaneous)
  • Polymers and Plastics


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