written by Fernando Silva Fernandes

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.

• Download ejs_lisbon_stp_GrandCanonicalMonteCarloModel.jar - 1966kb Java Archive File

Published May 20, 2014
Last Modified May 31, 2014

This file has previous versions.

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 ejs_lisbon_stp_GrandCanonicalMonteCarloModel.zip - 154kb Compressed File

Last Modified May 31, 2014

This file has previous versions.