Molecular Dynamics of Liquid Argon: Collision Times and Durations

The mean collision time 〈τC〉 and the mean durations of collision 〈τD〉 in liquid argon were calculated by a molecular dynamics computer simulation. The calculations were performed from the triple point temperature of T = 83.81 K to T = 150 K. The collision rates Z were obtained under isothermal, isochoric and isobaric conditions and the corresponding derivatives magnified image as well as the isokinetic coefficient magnified image have been calculated for our model and for liquid cell models. The use of the coefficients thus introduced for the calculation of frequency factors in solution kinetics is discussed. A comparison with collision induced spectra shows that the calculated values of 〈τC〉 and 〈τD〉 are in agreement with experimental data in liquid argon.