The crystal morphology of zinc lactate trihydrate in the absence or presence of impurities (viz. succinic acid
L-malic acid and D-malic acid) is investigated by molecular simulation based on surface docking model and COMPASS force field. Combing simulation results with our previous experimental results
it is found that the solvent mainly has an inhibition effect on the (0 0 2) surface
and succinic acid impurity will inhibit the growth of (0 0 2) and (0 1 1) surfaces while two enantiomers of malic acid impurity will inhibit the (0 0 2) and (1 0 0) surfaces
which are in good agreement with the experimental results.
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