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Computer Program Detail Page

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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).
View the source code document attached to this resource
Subjects Levels Resource Types
Thermo & Stat Mech
- Ensembles
= Chemical Potential
- First Law
= Equations of State
- Kinetics and Dynamics
= Correlation 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
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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 30, 2013 by Wolfgang Christian
Record Updated:
November 23, 2013 by Wolfgang Christian
Last Update
when Cataloged:
October 30, 2013
ComPADRE is beta testing Citation Styles!

Record Link
AIP Format
F. Fernandes, Computer Program CHEMICAL POTENTIALS BY MONTE CARLO SIMULATIONS MODEL (2013), WWW Document, (http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605).
AJP/PRST-PER
F. Fernandes, Computer Program CHEMICAL POTENTIALS BY MONTE CARLO SIMULATIONS MODEL (2013), <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605>.
APA Format
Fernandes, F. (2013). Chemical Potentials by Monte Carlo Simulations Model [Computer software]. Retrieved April 19, 2014, from http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605
Chicago Format
Fernandes, Fernando Silva. "Chemical Potentials by Monte Carlo Simulations Model." http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605 (accessed 19 April 2014).
MLA Format
Fernandes, Fernando Silva. Chemical Potentials by Monte Carlo Simulations Model. Computer software. 2013. Java (JRE) 1.6. 19 Apr. 2014 <http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605>.
BibTeX Export Format
@misc{ Author = "Fernando Silva Fernandes", Title = {Chemical Potentials by Monte Carlo Simulations Model}, Month = {October}, Year = {2013} }
Refer Export Format

%A Fernando Silva Fernandes
%T Chemical Potentials by Monte Carlo Simulations Model
%D October 30, 2013
%U http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605
%O application/java

EndNote Export Format

%0 Computer Program
%A Fernandes, Fernando Silva
%D October 30, 2013
%T Chemical Potentials by Monte Carlo Simulations Model
%8 October 30, 2013
%U http://www.compadre.org/Repository/document/ServeFile.cfm?ID=13035&DocID=3605


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Citation Source Information

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

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

Chemical Potentials by Monte Carlo Simulations 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 Chemical Potentials by Monte Carlo Simulations Model.

relation by Wolfgang Christian

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