Quantitative modeling of the stress-optical properties of polyethene networks

摘要

The Monte-Carlo (MC) modeling of the deformation-related properties of polymer networks due to Stepto and Taylor (1995a; 1995b) is applied to the stress-optical behavior of polyethene (PE) networks published by Saunders (1954). Quantitative modeling is achieved on the bases of the realistic rotational-isomeric-state model of the PE chain, due to Abe, Jernigan, and Flory (1966), and the C-C and C-H bond polarizabilities of Denbigh (1940). Use of the C-H bond polarizablities of Bunn and Daubeny (1954) lead to calculated values of birefringence that greatly underestimate the experimental ones. Modeling of stress-strain and birefringence-strain behavior is also discussed. Finally, it is demonstrated, using PE and poly(ethylene terephthalate) as examples, that the prediction of stress-optical behavior on the basis of Gaussian networks leads to results of variable accuracy.