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
<a href="https://www.compadre.org/OSP/items/detail.cfm?ID=13035">Fernandes, Fernando Silva. "Chemical Potentials by Monte Carlo Simulations Model."</a>
F. Fernandes, Computer Program CHEMICAL POTENTIALS BY MONTE CARLO SIMULATIONS MODEL (2013), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605).
F. Fernandes, Computer Program CHEMICAL POTENTIALS BY MONTE CARLO SIMULATIONS MODEL (2013), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605>.
Fernandes, F. (2013). Chemical Potentials by Monte Carlo Simulations Model [Computer software]. Retrieved December 8, 2024, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605
Fernandes, Fernando Silva. "Chemical Potentials by Monte Carlo Simulations Model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605 (accessed 8 December 2024).
Fernandes, Fernando Silva. Chemical Potentials by Monte Carlo Simulations Model. Computer software. 2013. Java (JRE) 1.6. 8 Dec. 2024 <https://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 https://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 https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605
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