The orientational distribution functions and orientational correlation functions are the center piece in this analysis. Degreee of orientation is defined in terms of both end to end vectors and principal moments of radius gyration tensor and also N-monomer long vectors. We also utilized the time correlation analysis of orientational vectors to determine the the relaxation times. The simulations on normal alkanes, hexane, octane and decane are carried out at 300 K using a united atom representation of CH2 and CH3 groups. In simulations Dreiding II force fields parameters are employed.
Simulation starts from an equilibrated liquid.