The Journal of Pure and Applied Chemistry Research
Vol 2, No 3 (2013)

Chemical Potential of Benzene Fluid from Monte Carlo Simulation with Anisotropic United Atom Model

Mahfuzh Huda (Brawijaya University)
Siti Mariyah Ulfa (Brawijaya University)
Lukman Hakim (Brawijaya University)

Article Info

Publish Date
16 Sep 2013

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.

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Journal Info
The Journal of Pure and Applied Chemistry Research
Website

Abbrev

jpacr

Publisher

Universitas Brawijaya

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry Materials Science & Nanotechnology Medicine & Pharmacology

Description

The Journal of Pure and Applied Chemistry Research focuses in publishing research articles in the field of Chemistry and Applied Chemistry. The target is in exploring, investigating, and developing chemicals sources from local and/or Indonesian to increase the value. Scope of the journal is organic ...