A comparison between the rigid and flexible model of cyclohexane in the plastic phase by molecular dynamic simulations Original Research Article

Structural and dynamic properties were investigated for two models of the plastic phase of cyclohexane. The main aim was to discuss if molecular flexibility plays a role in this system. We have found that in this regime the structural properties are independent from the molecular flexibility. The only external dynamic property that we have found to be affected, albeit only slightly, by the ring flexibility is the correlation function of the first Legendre polynomial of chosen orientation vectors.