Detail Page

Item Picture
Grand Canonical Monte Carlo Model
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.

Please note that this resource requires at least version 1.6 of Java (JRE).
1 source code document is available
Subjects Levels Resource Types
Thermo & Stat Mech
- Ensembles
= Partition Function
- Models
= Lennard-Jones Potential
- Phase Transitions
= First-Order Transitions
- Graduate/Professional
- Upper Undergraduate
- Instructional Material
= Model
= Simulation
Intended Users Formats Ratings
- Educators
- Researchers
- application/java
  • Currently 0.0/5

Want to rate this material?
Login here!


Access Rights:
Free access
License:
This material is released under a Creative Commons Attribution-Noncommercial-Share Alike 3.0 license.
Rights Holder:
Fernando M.S. Silva Fernandes
Record Cloner:
Metadata instance created May 21, 2014 by Wolfgang Christian
Record Updated:
May 31, 2014 by Wolfgang Christian
Last Update
when Cataloged:
May 20, 2014
Other Collections:

ComPADRE is beta testing Citation Styles!

Record Link
AIP Format
F. Fernandes, Computer Program GRAND CANONICAL MONTE CARLO MODEL (2014), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780).
AJP/PRST-PER
F. Fernandes, Computer Program GRAND CANONICAL MONTE CARLO MODEL (2014), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780>.
APA Format
Fernandes, F. (2014). Grand Canonical Monte Carlo Model [Computer software]. Retrieved December 1, 2020, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780
Chicago Format
Fernandes, Fernando Silva. "Grand Canonical Monte Carlo Model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780 (accessed 1 December 2020).
MLA Format
Fernandes, Fernando Silva. Grand Canonical Monte Carlo Model. Computer software. 2014. Java (JRE) 1.6. 1 Dec. 2020 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780>.
BibTeX Export Format
@misc{ Author = "Fernando Silva Fernandes", Title = {Grand Canonical Monte Carlo Model}, Month = {May}, Year = {2014} }
Refer Export Format

%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

EndNote Export Format

%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.

Citation Source Information

The AIP Style presented is based on information from the AIP Style Manual.

The APA Style presented is based on information from APA Style.org: Electronic References.

The Chicago Style presented is based on information from Examples of Chicago-Style Documentation.

The MLA Style presented is based on information from the MLA FAQ.

Grand Canonical Monte Carlo Model:

Is Based On Easy Java Simulations Modeling and Authoring Tool

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

relation by Wolfgang Christian

Know of another related resource? Login to relate this resource to it.
Save to my folders

Contribute

Related Materials

Similar Materials