Molecular modeling, polymer crystal nucleation

From the classical Lauritzen-Hoffman model to the molecular-nucleation concept, and then the intramolecular-nucleation model, polymer crystal nude-... 

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Abstract. We review how the nucleation mechanism of polymer crystallization could be assigned to intramolecular processes and what are the preliminary benefits for understanding some fundamental crystallization behaviors. The speculative concept of molecular nucleation and the theoretical model of intramolecular nucleation have been elucidated in a broad context of classical nucleation theory. The focus is on explaining the phenomenon of molecular segregation caused by polymer crystal growth. 

Hu W (1998) Structural transformation in the collapse transition of the single flexible homopolymer model. J Chem Phys 109(9) 3686-3690 Hu W (20(X)) The melting point of chain polymers. J Chem Phys 113(9) 3901-3908 Hu W (2005) Molecular segregation in polymer melt crystallization simulation evidence and unified-scheme interpretation. Macromolecules 38(21) 8712-8718 Hu W (2007) Intramolecular crystal nucleation. In Reiter G, Strobl GR (eds) Lecture notes in physics progress in understanding of polymer crystallization. Springer, Berlin, pp 47-63 Hu W (2013) Polymer physics a molecular approach. Springer, Wien... 

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