Extractant aggregation in liquid-liquid extraction organic phases impacts extraction energetics and is related to the deleterious efficiency-limiting liquid-liquid phase transition known as third phase formation. Using small angle X-ray scattering, we find that structural heterogeneities across a wide range of compositions in binary mixtures of malonamide extractants and alkane diluents are well described by Ornstein-Zernike scattering. This suggests that structure in these simplified organic phases originates from the critical point associated with the liquid-liquid phase transition.
View Article and Find Full Text PDFThe porphyrinic metal-organic framework, PCN-222, exhibits anisotropic growth behavior to form nanorods and microrods with aspect ratios 3 < < 94. Control of microrod aspect ratios has been demonstrated through the identification of several factors that dictate crystal growth, particularly the concentrations of a ligand, a modulator, and an exogenous base. An increase in the local concentration of a deprotonated ligand, which is proportional to the nucleation rate, is associated with smaller crystals, while increased modulator concentration leads to longer microrods.
View Article and Find Full Text PDFMolecular dynamics (MD) simulations were used to characterize the equilibrium size, shape, hydration, and self-assembly of dodecylphosphocholine (DPC) and dodecyl-β-D-maltoside (DDM) micelles. We show that DPC molecules self-assemble to form micelles with sizes within the range reported in the experimental literature. The equilibrium shape of DPC and DDM micelles as well as associated micellar radii are in agreement with small-angle X-ray scattering (SAXS) experiments and theoretical packing parameters.
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