Abstract
AbstractMolecular mechanics energy calculations have been used to assess the relative affinities that an iodobenzene solvent molecule and a segment of a polyoxymethylene chain have for five different alkali halide (001) surfaces. Dispersive‐repulsive and coulombic contributions to the interaction energy have been included. The calculated interaction deposition energy correlates well with the nucleation density of rodlike epitaxial crystals formed on these substrates in epitaxial crystallization experiments from solution. Substrates which have a higher preference for solvent (LiF and NaF) than for polymer exhibit relatively low polymer nucleation densities. As the degree of solvent preference decreases, and polymer preference increases, higher nucleation densities are observed (KCI and KI). These results suggest that preferential solvent adsorption may account for the low nucleation densities observed on some substrates in polymer epitaxial crystallization experiments from solution.
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