What is it about?
Polycyclic aromatic hydrocarbons (PAHs) are precursors to soot particles, which represent one of the main air pollutants. Collisions between PAHs with surrounding gases have important effects on the growth of incipient soot particles. This article examines the collision process from an atomic perspective.
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Why is it important?
We quantify the energy transfer in intermolecular collisions between PAHs and bath gases He and Ar with a combination of quantum chemistry calculations and reactive force-field molecular dynamics.
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This page is a summary of: Energy transfer in intermolecular collisions of polycyclic aromatic hydrocarbons with bath gases He and Ar, The Journal of Chemical Physics, July 2019, American Institute of Physics, DOI: 10.1063/1.5094104.
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