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Molecular dynamics (MD) simulations of several polyethylene copolymer chains containing 1,2-, 1,3- or 1,4-disubstituted cyclopentane or hexamethylene structures in the main chain (with 500 CH 2 ) are performed to investigate the influence of cyclic units on the crystallization properties of polyethylene (PE). From the isothermal relaxation process it is found that they generally collapse to...
Three models (star-shaped, H-shaped, and comb-shaped polyethylenes) are used to study the crystallization behavior of low-density polyethylene at the molecular level by means of molecular dynamics simulation. It is shown that, for the three types of polyethylene corresponding to the models, the neighboring sequences of trans bonds firstly aggregate together to form local ordered domains, and then...
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