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.

Please note that this resource requires
at least version 1.6 of
Java (JRE).

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. download 21kb .zip
Last Modified: June 13, 2014
previous versions

F. Fernandes, Computer Program CHEMICAL POTENTIALS BY MONTE CARLO SIMULATIONS MODEL (2013), WWW Document, (http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605).

F. Fernandes, Computer Program CHEMICAL POTENTIALS BY MONTE CARLO SIMULATIONS MODEL (2013), <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605>.

Fernandes, F. (2013). Chemical Potentials by Monte Carlo Simulations Model [Computer software]. Retrieved August 24, 2016, from http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605

Fernandes, Fernando Silva. "Chemical Potentials by Monte Carlo Simulations Model." http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605 (accessed 24 August 2016).

Fernandes, Fernando Silva. Chemical Potentials by Monte Carlo Simulations Model. Computer software. 2013. Java (JRE) 1.6. 24 Aug. 2016 <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605>.

%A Fernando Silva Fernandes %T Chemical Potentials by Monte Carlo Simulations Model %D October 30, 2013 %U http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605 %O application/java

%0 Computer Program %A Fernandes, Fernando Silva %D October 30, 2013 %T Chemical Potentials by Monte Carlo Simulations Model %8 October 30, 2013 %U http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605

Disclaimer: ComPADRE offers citation styles as a guide only. We cannot offer interpretations about citations as this is an automated procedure. Please refer to the style manuals in the Citation Source Information area for clarifications.

The Easy Java Simulations Modeling and Authoring Tool is needed to explore the computational model used in the Chemical Potentials by Monte Carlo Simulations Model.