화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.101, No.41, 8324-8330, 1997
Glass Transitions - A Chemical Kinetic/Landau Theory
Transions among melt, glass, and crystal states are modeled phenomenologically by integrating notions from chemical kinetics with a Landau-type generalization of the concept of affinity. The model naturally captures the melt --> glass, melt --> crystal, and glass --> crystal transitions. The Landau terms in a free energy ansatz allow for the prediction of domains of various types of molecular orderings. A simple "symmetric conflict" model is considered as a concrete realization of the approach. This model explicitly demonstrates the existence of a higher lying glasslike free energy well that is kinetically favored over a deeper-lying crystal well. Quenching to the glass state and annealing to the crystal state are shown to follow naturally. The spontaneous creation of ordering domains is proposed to be a self-organizing process. The formalism may be generalized to allow for the analysis of chemically complex, multicomponent systems.