Melt crystallization theoretical approaches

Among the first ones to present a complete theoretical approach are Burton, Prim, and Slitcher (1953). The authors developed a mathematical formulation of the problem for metallic systems with partial solid solubility crystallized from the melt in a suspension process. Their theory is based on a boundary layer model and does not account for the mutual dependence of heat and mass transfer but regards the influence of heat transfer as negligible. 

The indirect methods that have been used to determine are inconclusive. A theoretical approach has been proposed that focuses on the chain conformation in the molten state.(235) Attention is given to the entropy change that occurs when a sequence of chain units is transferred from the melt to the nucleus. Specifically, the entropy change in transferring a sequence of n units, of length I, from the pure melt (state 1) to a surface layer (state 2) is calculated. This surface layer is localized in close proximity to the nucleus (crystal) surface but it is only attached at a few... 

Results of recent theoretical and computer simulation studies of phase transitions in monolayer films of Lennard-Jones particles deposited on crystalline solids are discussed. DiflFerent approaches based on lattice gas and continuous space models of adsorbed films are considered. Some new results of Monte Carlo simulation study for melting and ordering in monolayer films formed on the (100) face of an fee crystal are presented and confronted with theoretical predictions. In particular, it is demonstrated that the inner structure of solid films and the mechanism of melting transition depend strongly on the effects due to the periodic variation of the gas - solid potential. 

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