Development of 3D Polymer DFT and Its Application to Molecular Transport through a Surfactant-Covered Interface
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DOI: 10.1002/aic.15858
Abstract: We have developed a three-dimensional polymer density functional theory (DFT) and applied it to predict the thermodynamic and structural information of molecular transport through a surfactant-covered interface. The green recursive function method has been employed… read more here.
Keywords: dft; transport; surfactant covered; transport surfactant ... See more keywords