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- W2044203467 abstract "Using the constrained molecular dynamics technique, the mass transport of a chloroform molecule across the CC14/H2O interface is investigated. As expected, the transfer free energy is found to decrease monotonically from the aqueous phase into the nonpolar carbon tetrachloride liquid. The presence of the solute exerts essentially no perturbation to the interface, and to the peak positions of the solute–solvent atomic radial distribution functions. These observations suggest that the transport of the chloroform molecule involves a smooth change in the solvent composition of the solvation shells around the solute molecule." @default.
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- W2044203467 date "1998-01-08" @default.
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- W2044203467 title "Transfer of chloroform across the water–carbon tetrachloride liquid–liquid interface" @default.
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- W2044203467 doi "https://doi.org/10.1063/1.475441" @default.
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