Molecular Dynamics Simulation of the Aggregation Behavior of Typical Aromatic Pollutants and Its Influence on the n-Octanol-Air Partition Coefficient
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The aggregation behavior of typical aromatic pollutants in the n-octanol phase and its influence on the n-octanol-air partition coefficient (KOA) were investigated using molecular dynamics simulation. The aggregate proportion of selected aromatic pollutants gr... ...
