Monte Carlo simulations for the equation of state of athermal linear alkanes

Yethiraj, Arun
May 1995
Journal of Chemical Physics;5/1/1995, Vol. 102 Issue 17, p6874
Academic Journal
Monte Carlo simulations are performed for the pressure of fused-hard-sphere freely rotating chains with fixed bond lengths and bond angles, in order to test various integral equation and mean-field generalized Flory-type equations of state. Due to a fortuitous canceling of errors, one of the generalized Flory theories is found to be the most accurate of all the theories tested. © 1995 American Institute of Physics.


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