An atomic finite element model for biodegradable polymers. Part 2. A model for change in Young's modulus due to polymer chain scission.
Atomic simulations were undertaken to analyse the effect of polymer chain scission on amorphous poly(lactide) during degradation. Many experimental studies have analysed mechanical properties degradation but relatively few computation studies have been conducted. Such studies are valuable for supporting the design of bioresorbable medical devices. Hence in this paper, an Effective Cavity Theory for the degradation of Young's modulus was developed. Atomic simulations indicated that a volume of reduced-stiffness polymer may exist around chain scissions. In the Effective Cavity Theory, each chain scission is considered to instantiate an effective cavity. Finite Element Analysis simulations were conducted to model the effect of the cavities on Young's modulus. Since polymer crystallinity affects mechanical properties, the effect of increases in crystallinity during degradation on Young's modulus is also considered. To demonstrate the ability of the Effective Cavity Theory, it was fitted to several sets of experimental data for Young's modulus in the literature.
Manufacturing and Process Technologies, Faculty of Engineering, University of Nottingham, University Park, Nottingham NG7 2RD, UK. Electronic address: andrew.gleadall@nottingham.ac.uk.
Andrew
A
Gleadall
Department of Engineering, University of Leicester, Leicester LE1 7RH, UK.
Jingzhe
J
Pan
Corbion Purac Biomaterials, PO Box 21, Gorinchem 4200 AA, The Netherlands.
Marc-Anton
MA
Kruft
D055119:Elastic Modulus; D020342:Finite Element Analysis; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D011108:Polymers / Q000737:chemistry* / Q000378:metabolism
D011108:Polymers
Biodegradable polymers; Computer modelling; Degradation; Mechanical properties; Young’s modulus