Chemical Potential of Benzene Fluid from Monte Carlo Simulation with Anisotropic United Atom Model
Mahfuzh Huda, Siti Mariyah Ulfa, Lukman Hakim
J. Pure App. Chem. Res. Vol 2, No 3 (2013), pp. 115-121
Submitted: August 12, 2013     Accepted: September 16, 2013     Published: September 16, 2013
DOI: http://dx.doi.org/10.21776/ub.jpacr.2013.002.03.163

Abstract



The profile of chemical potential of benzene fluid has been investigated using Anisotropic United Atom (AUA) model. A Monte Carlo simulation in canonical ensemble was done to obtain the isotherm of benzene fluid, from which the excess part of chemical potential was calculated. A surge of potential energy is observed during the simulation at high temperature which is related to the gas-liquid phase transition. The isotherm profile indicates the tendency of benzene to condensate due to the strong attractive interaction. The results show that the chemical potential of benzene rapidly deviates from its ideal gas counterpart even at low density.


Keywords : Benzene, Anisotropic United Atom, chemical potential, Monte Carlo simula- tion
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