SAFT-γ force field for the simulation of molecular fluids: aggregation behavior of polycyclic aromatic hydrocarbons


The association of polyaromatic hydrocarbons (PAHs) in mixtures of organic solvents is central to a diverse range of contemporary engineering challenges including the fabrication of organic photovoltaics, design of... [ view full abstract ]


  1. Guadalupe Jimenez-Serratos (Imperial College London)
  2. Andrew Haslam (Imperial College London)
  3. George Jackson (Imperial College London)
  4. Erich A Muller (Imperial College London)

Topic Area

Advances in molecular simulation


P1 » Poster Session I & Evening Reception (18:30 - Tuesday, 5th September, John McIntyre Conference Centre )

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