Monte Carlo simulation polymer crystal nucleation

Hu WB, Mathot VBF, Frenkel D (2003a) Lattice model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing. J Chem Phys 118 10343-10348 Hu WB, Frenkel D, Mathot VBF (2003b) Sectorization of a lamellar polymer crystal studied by dynamic Monte Carlo simulations. Macromolecules 36 549-552 Hu WB, Frenkel D, Mathot VBF (2003c) Intramolecular nucleation model for polymer crystallization. Macromolecules 36 8178-8183... 

The present chapter has centered on experimental efforts performed to study confined polymer crystallization. However, molecular dynamics simulations and dynamic Monte Carlo simulations have also been recently employed to study confined nucleation and crystallization of polymeric systems [99, 147]. These methods and their application to polymer crystallization are discussed in detail in Chapter 6. A recent reference by Hu et al. reviews the efforts performed by these researchers in trying to understand the effects of nanoconfinement on polymer crystallization mainly through dynamic Monte Carlo simulations of lattice polymers [147, 311]. The authors have performed such types of simulations in order to study homopolymers confined in ultrathin films [282], nanorods [312] and nanodroplets [147], and crystallizable block components within diblock copolymers confined in lamellar [313, 314], cylindrical [70,315], and spherical [148] MDs. 

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