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Molecular Dynamics Simulation of the Aggregation Behavior of Typical Aromatic Pollutants and Its Influence on the

Wanran Li1,2, Wencong Fan2, Jing Zhang3

  • 1College of Intelligence and Electronic Engineering, Dalian Neusoft University of Information, Dalian 116023, China.

Toxics
|September 27, 2025
PubMed

Keywords:
aggregation behavioraromatic pollutantsmolecular dynamics simulationn-octanol–air partition coefficientπ–π interactions

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