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Quantifying Dimer and Trimer Formation by Tri-n-butyl Phosphates in n-Dodecane: Molecular Dynamics Simulations

Quynh N Vo1, Liem X Dang2, Mikael Nilsson1

  • 1Department of Chemical Engineering and Materials Science, University of California, Irvine , Irvine, California 92697, United States.

The Journal of Physical Chemistry. B
|July 12, 2016
PubMed
Summary

Molecular simulations reveal seven isomers of tri-n-butyl phosphate (TBP) and its aggregation into dimers and trimers in n-dodecane. These findings enhance understanding of TBP

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