MOLECULAR DYNAMICS SIMULATION ON MECHANICAL PROPERTIES OF POLYMER NETWORKS
The mechanical properties and swelling behavior of polymer networks were investigated using molecular dynamic simulations. The random cross-linking structure of polymer networks was prepared by endlinking monodisperse precursor chains1. The subchain lengths in network vary from 12 to 100 at three different system number densities (Φ0=0.2, 0.3, 0.5). NTLxσyyσzz ensemble2 simulations were performed for deformation of equilibrium swollen polymer gels. We employed a shifted Lennard-Jones potential to describe the pure repulsive excluded volume interactions between any pair of particles for the condition of good solvent. Additionally, monomers interact with their chemical neighbors along the chain by introducing the finite extension nonlinear elastic (FENE) potential.
Wen Yang Qi Liao Xigao Jin
Beijing National Laboratory for Molecular Sciences,State Key Laboratory of Polymer Physics and Chemistry,Joint Laboratory of Polymer Science and Materials,Institute of Chemistry Chinese Academy of Sciences,Beijing,100190,China
国际会议
International Symposium on Polymer Physics(2008年国际高分子物理学术会议PP2008)
厦门
英文
433-434
2008-06-08（万方平台首次上网日期，不代表论文的发表时间）