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In this review, we consider a variety of aspects of polymer crystallization using a very simple lattice model. This model has three ingredients that give it the necessary flexibility to account for many features of polymer crystallization that have been observed experimentally. These ingredients are (1) a difference in attraction between neighboring (nonbonded) components, (2) attraction between parallel...
The molecular mechanism of polymer crystallization is one of the most difficult problems and has defied innumerable efforts to understand the process over the last fifty years in spite of its great importance both from the academic and the industrial point of view. We have been studying this historical problem by use of the molecular dynamics simulation method. In this chapter of the book, we review...
We distinguish three main modes of crystallization for polymers with a relatively flexible main-chain, i.e., (i) usual lamellar crystallization occurring by cooling from the reference state (melt or solution) above the temperature T0 down to T > Tg; (ii) crystallization from the glass; (iii) crystallization from a stable thermotropic mesophase. In all...
Direct evidence of nucleation during the induction period of nucleation from the melt is obtained for the first time by means of small angle X-ray scattering (SAXS). This confirmed that the induction period of crystallization from the melt corresponds to the process of nucleation, not to that of spinodal decomposition. This success is due to a significant increase in the scattering intensity (I ...
This paper reviews the authors' investigation into polymer crystallization, especially involving a spinodal decomposition (SD) type phase separation due to the orientation fluctuation of stiff segments prior to crystal nucleation. Evidences for SD obtained from small-angle X-ray and neutron scattering (SAXS and SANS), depolarized light scattering (DPLS), Fourier-transform infrared spectroscopy (FT-IR)...
We summarize the salient conclusions derived from Langevin dynamics simulations of many flexible polymer molecules undergoing crystallization from solutions. These simulations reveal molecular mechanisms of nucleation and growth, and the accompanying free energy barriers, during the very early stages of crystallization. The simulation results are also analyzed by statistical mechanics theories. Major...
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