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- W2088980512 abstract "We report molecular dynamics studies of TBP behavior at the interface. TBP, irrespective of the number particles as well as of initial orientation, adsorbs at the interface to occupy the maximum surface of this area. Polar part of the molecule is pointed towards the aqueous phase an alkyl chains are pointed to the organic phase. Some of the TBP particles are present in the organic phase as well. TBP is able to bond 3 to 4 water particles in the organic phase. We can notice the formation of the following dimers: (TBP)2 · H2O, (TBP · H2O)2, as well as the formation of “water fingers”. ZnCl2(TBP)2 complex also adsorbs at the interface. Polar part P˭O→ZnCl2←O˭P is pointed towards water. Performed simulation show that the molecule of the complex is solvated by water particles as well. The obtained results correspond to the experimental ones." @default.
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- W2088980512 date "2012-05-15" @default.
- W2088980512 modified "2023-09-26" @default.
- W2088980512 title "Molecular Dynamics Study of the Behaviour of TBP-Zinc-Chloride Complex at the Chloroform/Water Interfacial System" @default.
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- W2088980512 doi "https://doi.org/10.1080/01496395.2012.672518" @default.
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