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Chemical Potentials by Monte Carlo Simulations Model Documents

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Main Document

Chemical Potentials by Monte Carlo Simulations Model 

written by Fernando Silva Fernandes

The Chemical Potentials by Monte Carlo Simulations Model performs canonical (NVT) and isothermal-isobaric (NPT) Monte Carlo simulations focusing the calculation of chemical potentials, for the fluid phases of the Lennard-Jones system, by using the virtual particle insertion method of Widom. Although it can not determine phase-equilibrium directly, the gas-liquid line can be approached as illustrated in the included case study. The model paves the way to uVT and Gibbs Ensemble simulations, and shows the limitation of Widom's method at high fluid densities.

The Chemical Potentials by Monte Carlo Simulations Model was developed using the Easy Java Simulations (EJS) modeling tool.  It is distributed as a ready-to-run (compiled) Java archive.   Double clicking the jar file will run the program if Java is installed.  You can modify this simulation if you have EJS installed by right-clicking within the map and selecting "Open Ejs Model" from the pop-up menu item.

Published October 30, 2013
Last Modified June 13, 2014

This file has previous versions.

Source Code Documents

Chemical Potentials by Monte Carlo Simulations Model 

The source code zip archive contains an XML representation of the Chemical Potentials by Monte Carlo Simulations Model.   Unzip this archive in your EJS workspace to compile and run this model using EJS.

Last Modified June 13, 2014

This file has previous versions.

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