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Entropy via Grand-Isobaric Ensemble Monte Carlo model
written by Fernando Silva Fernandes
The grand-isobaric ensemble (?,P,R) is one of the four adiabatic statistical ensembles whose thermodynamic fundamental function is the entropy. It describes a system enclosed by adiabatic, movable and porous walls keeping as constants the chemical potential (?), the pressure (P) and the Ray energy (R=H-?N), where H is the enthalpy, and N is the number of molecules. It is a direct route to the calculation of the entropy (S), since S=R/, where is the average temperature. The model implements a Monte Carlo program using the Lennard-Jones potential parametrized for argon, and it is tested against experimental and simulation results from the literature.

The java simulation 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.

Please note that this resource requires at least version 1.6 of Java (JRE).
3 supplemental documents are available
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
- Upper Undergraduate
- Graduate/Professional
- Instructional Material
= Interactive Simulation
Intended Users Formats Ratings
- Educators
- Researchers
- application/java
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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 December 3, 2023 by Wolfgang Christian
Record Updated:
December 3, 2023 by Wolfgang Christian
Last Update
when Cataloged:
December 3, 2023
ComPADRE is beta testing Citation Styles!

Record Link
AIP Format
F. Fernandes, Computer Program ENTROPY VIA GRAND-ISOBARIC ENSEMBLE MONTE CARLO MODEL (2023), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843).
AJP/PRST-PER
F. Fernandes, Computer Program ENTROPY VIA GRAND-ISOBARIC ENSEMBLE MONTE CARLO MODEL (2023), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843>.
APA Format
Fernandes, F. (2023). Entropy via Grand-Isobaric Ensemble Monte Carlo model [Computer software]. Retrieved July 22, 2024, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843
Chicago Format
Fernandes, Fernando Silva. "Entropy via Grand-Isobaric Ensemble Monte Carlo model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843 (accessed 22 July 2024).
MLA Format
Fernandes, Fernando Silva. Entropy via Grand-Isobaric Ensemble Monte Carlo model. Computer software. 2023. Java (JRE) 1.6. 22 July 2024 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843>.
BibTeX Export Format
@misc{ Author = "Fernando Silva Fernandes", Title = {Entropy via Grand-Isobaric Ensemble Monte Carlo model}, Month = {December}, Year = {2023} }
Refer Export Format

%A Fernando Silva Fernandes %T Entropy via Grand-Isobaric Ensemble Monte Carlo model %D December 3, 2023 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843 %O application/java

EndNote Export Format

%0 Computer Program %A Fernandes, Fernando Silva %D December 3, 2023 %T Entropy via Grand-Isobaric Ensemble Monte Carlo model %8 December 3, 2023 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843


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Entropy via Grand-Isobaric Ensemble 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 Entropy via Grand-Isobaric Ensemble Monte Carlo model.

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