The Grand Canonical Monte Carlo Model illustrates grand canonical ensemble (µVT) Monte Carlo simulations: the chemical potential, volume and temperature are the system constraints. This means that the system has porous and diabatic walls, exchanging molecules and heat with a reservoir at constant chemical potential and temperature. The molecules interact through the Lennard-Jones. potential and fluid states at densities 0.0025 ? ? ? 0.85 and temperatures T ? 0.70 can be simulated. Although the volume is kept constant, the number of molecules fluctuates and so does the density. The aim is to reach a chemical potential approaching the imposed one. The input fields can be edited to probe different regions of the phase diagram. Chemical potentials, activity coefficients, Helmholtz free energies, entropies and their excess contributions are worked out.
The Grand Canonical Monte Carlo 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).
Grand Canonical Monte Carlo Source Code
The source code zip archive contains an XML representation of the Grand Canonical Monte Carlo Model. Unzip this archive in your EJS workspace to compile and run this model using EJS. download 154kb .zip
Last Modified: May 31, 2014
previous versions
F. Fernandes, Computer Program GRAND CANONICAL MONTE CARLO MODEL (2014), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780).
F. Fernandes, Computer Program GRAND CANONICAL MONTE CARLO MODEL (2014), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780>.
Fernandes, F. (2014). Grand Canonical Monte Carlo Model [Computer software]. Retrieved November 10, 2024, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780
Fernandes, Fernando Silva. "Grand Canonical Monte Carlo Model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780 (accessed 10 November 2024).
Fernandes, Fernando Silva. Grand Canonical Monte Carlo Model. Computer software. 2014. Java (JRE) 1.6. 10 Nov. 2024 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780>.
%A Fernando Silva Fernandes %T Grand Canonical Monte Carlo Model %D May 20, 2014 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780 %O application/java
%0 Computer Program %A Fernandes, Fernando Silva %D May 20, 2014 %T Grand Canonical Monte Carlo Model %8 May 20, 2014 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780
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.