Molecular Dynamics Study of the Aggregation Behavior of <i>N</i>,<i>N</i>,<i>N</i>′,<i>N</i>′-Tetraoctyl Diglycolamide
Daniel Massey, Andrew J. Masters, Jonathan Macdonald-Taylor, David Woodhead, Robin J. Taylor
Abstract
-dodecane as the diluent than is the case with TPH, but we argue that these two results are not contradictory. This research casts light on the driving forces for aggregation, informs process engineers as to what species are present, and indicates that flow-sheet liquid-liquid extraction modeling might benefit by incorporating an isodesmic aggregation approach.
Topics & Concepts
Nitric acidChemistryDiluentActinideMolecular dynamicsNitrogenMoleculeMetalChemical physicsInorganic chemistryOrganic chemistryComputational chemistryRadioactive element chemistry and processingLanthanide and Transition Metal ComplexesExtraction and Separation Processes