Modeling ion-molecule collision using Monte Carlo simulation

Monte Carlo simulation is performed under local density approximation for electronic energy loss distribution by intermediate velocity protons for several examples of polycyclic aromatic hydrocarbon (PAH) molecules as well as for some of naphthalene derivatives. The energy loss distribution was found to peak in the range of 50-70 eV for all the molecules except C₆₀. Apart from this, a strong orientation effect with respect to projectile for electronic stopping magnitude is observed for all molecules except C₆₀ due to its icosahedral symmetry. This work helps in estimation of the ionization and fragmentation cross sections using electronic stopping