Detail Page

Item Picture
Gas-Liquid Coexistence by Gibbs Ensemble Model
written by Fernando Silva Fernandes
The Gas-Liquid Coexistence by Gibbs Ensemble Model illustrates the method introduced by Panagiotopoulos to simulate gas-liquid equilibrium. It combines NVT, NPT and ?VT Monte Carlo techniques in a single simulation using two boxes at given initial densities and no explicit interface, and setting the required temperature. When equilibrium is attained one of the boxes contains the gas, the other contains the liquid so that the chemical potentials and pressures turn equal in both boxes. In the so-called Gibbs Ensemble method there is no need to specify chemical potentials and pressures in advance, they are just natural sub-products of the simulations. The method is applied to the gas-liquid diagram of the Lennard-Jones system paving the way to the study of more complex systems. The number of molecules, initial densities and required temperature can be changed to probe the whole diagram. 3D animations of molecular moves are included. Some technical aspects concerned with finite size effects and the limitation of the method near the critical point are pointed out.

The Gas-Liquid Coexistence by Gibbs Ensemble 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 1.7 of Java (JRE).
1 source code document is available
Subjects Levels Resource Types
Thermo & Stat Mech
- First Law
= Equations of State
- Kinetic and Diffusive Processes
= Correlation Function
- Models
= Lennard-Jones Potential
- Phase Transitions
= First-Order Transitions
- Upper Undergraduate
- Graduate/Professional
- Instructional Material
= Model
= Simulation
Intended Users Formats Ratings
- Learners
- Researchers
- Educators
- application/java
  • Currently 0.0/5

Want to rate this material?
Login here!


Access Rights:
Free access
License:
This material is released under a GNU General Public License Version 3 license.
Rights Holder:
Fernando M.S. Silva Fernandes
Record Cloner:
Metadata instance created October 26, 2014 by Wolfgang Christian
Record Updated:
October 26, 2014 by Wolfgang Christian
Last Update
when Cataloged:
October 26, 2014
Other Collections:

ComPADRE is beta testing Citation Styles!

Record Link
AIP Format
F. Fernandes, Computer Program GAS-LIQUID COEXISTENCE BY GIBBS ENSEMBLE MODEL (2014), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925).
AJP/PRST-PER
F. Fernandes, Computer Program GAS-LIQUID COEXISTENCE BY GIBBS ENSEMBLE MODEL (2014), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925>.
APA Format
Fernandes, F. (2014). Gas-Liquid Coexistence by Gibbs Ensemble Model [Computer software]. Retrieved October 24, 2020, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925
Chicago Format
Fernandes, Fernando Silva. "Gas-Liquid Coexistence by Gibbs Ensemble Model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925 (accessed 24 October 2020).
MLA Format
Fernandes, Fernando Silva. Gas-Liquid Coexistence by Gibbs Ensemble Model. Computer software. 2014. Java (JRE) 1.7. 24 Oct. 2020 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925>.
BibTeX Export Format
@misc{ Author = "Fernando Silva Fernandes", Title = {Gas-Liquid Coexistence by Gibbs Ensemble Model}, Month = {October}, Year = {2014} }
Refer Export Format

%A Fernando Silva Fernandes
%T Gas-Liquid Coexistence by Gibbs Ensemble Model
%D October 26, 2014
%U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925
%O application/java

EndNote Export Format

%0 Computer Program
%A Fernandes, Fernando Silva
%D October 26, 2014
%T Gas-Liquid Coexistence by Gibbs Ensemble Model
%8 October 26, 2014
%U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13352&DocID=3925


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.

Gas-Liquid Coexistence by Gibbs Ensemble 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 Gas-Liquid Coexistence by Gibbs Ensemble 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