Computer simulations of the mechanism of thickness selection in polymer crystals

Conference item

In this paper, I describe the computer simulations that I have performed to critically examine the Lauritzen-Hoffman (LH) and the Sadler-Gilmer (SG) theories of polymer crystallization. In particular, I have computed the free energy profile for nucleation of a new crystalline layer on the growth face to compare with that assumed by the LH theory, I have analysed the mechanism of thickness selection in a multi-pathway model in which some of the constraints in the LH theory are relaxed, and I have re-examined the model used by SG. These investigations have lead to a mechanism of thickness selection of lamellar polymer crystals that differs from the two theories that I set out to examine. (C) 2000 Elsevier Science Ltd.

Authors: Doye, J

• Publication status: Published
• Publisher: Elsevier
• Host title: POLYMER
• Volume: 41
• Issue: 25
• Pages: 8857-8867
• Publication date: 2000-12-01
• DOI: 10.1016/S0032-3861(00)00229-9
• ISSN: 0032-3861
• Keywords: polymer crystallization; computer simulations; multi-pathway model