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).
Entropy via Grand-Isobaric Ensemble Monte Carlo Source Code
The EJS source code for the Entropy via Grand-Isobaric Ensemble Monte Carlo model. Note that this source code requires the Java (NOT JavaScript) version of EJS. download 147kb .zip
Last Modified: December 3, 2023
<a href="https://www.compadre.org/OSP/items/detail.cfm?ID=16685">Fernandes, Fernando Silva. "Entropy via Grand-Isobaric Ensemble Monte Carlo model."</a>
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).
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>.
Fernandes, F. (2023). Entropy via Grand-Isobaric Ensemble Monte Carlo model [Computer software]. Retrieved November 4, 2024, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843
Fernandes, Fernando Silva. "Entropy via Grand-Isobaric Ensemble Monte Carlo model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843 (accessed 4 November 2024).
Fernandes, Fernando Silva. Entropy via Grand-Isobaric Ensemble Monte Carlo model. Computer software. 2023. Java (JRE) 1.6. 4 Nov. 2024 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843>.
%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
%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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