Properties and structure of crystal-solution interfaces of normal alkane crystals: Influence of solvents

Liu, Xiang-Yang
January 1995
Journal of Chemical Physics;1/15/1995, Vol. 102 Issue 3, p1373
Academic Journal
The step energy of the {110} faces of n-paraffin crystals grown from various solutions is measured in thermal roughening experiments, and the values are compared with those calculated using a self-consistent field (SCF) lattice model calculation technique. The results turn out to be in good agreement. The interfacial fluid structure of n-paraffin crystals in various solutions is further examined on a molecular scale by means of SCF calculations. It is found that the interfacial structure of the solid–fluid interface of n-alkane crystals changed substantially, depending on the molecular structure and properties of the solvent. Subsequently, a ternary system, i.e., the n-C25H52–butanol-n-hexane solution, is analyzed. It follows that when the segmental density of the solute is kept constant, mixing a small amount of one solvent with another may lead to an increase in the step energy. Finally, the solvent-dependent critical behavior of the roughening transition for n-alkane crystals grown from various solutions is also discussed. © 1995 American Institute of Physics.


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