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Molecular Dynamics Of Interfacial Phenomena At Air/Ice, Air/Water, And Air/Salt Water Interfaces, Thilanga Prabhash Liyana Arachchi
Molecular Dynamics Of Interfacial Phenomena At Air/Ice, Air/Water, And Air/Salt Water Interfaces, Thilanga Prabhash Liyana Arachchi
LSU Doctoral Dissertations
The purpose of this research is to investigate the adsorption of organic contaminants, namely polycyclic aromatic hydrocarbons (PAHs) and green leaf volatiles (GLVs), as well as their interactions with reactive oxygen species (ROSs) on atmospheric air/water and air/ice interfaces. In another series of projects, we studied several intermediate and semi-volatile organic compounds from oil (IVOCs and SVOCs, e.g., alkanes with 17-31 carbon atoms), surfactants and dispersants at air/salt water interfaces. These simulations are relevant to understand the fate of these compounds during the recent 2010 Deepwater Horizon (DWH) oil spill. The adsorption of gas-phase aromatics (benzene, naphthalene and phenanthrene), ROSs …