Entropy via Grand-Isobaric Ensemble Monte Carlo model

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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).

.jar

download 2263kb .jar
Published: December 3, 2023

3 supplemental documents are available

Introduction
An Introduction to the Entropy via Grand-Isobaric Ensemble Monte Carlo.
download 131kb .pdf
Last Modified: December 3, 2023

Guide
A guide to the Entropy via Grand-Isobaric Ensemble Monte Carlo model.
download 139kb .pdf
Last Modified: December 3, 2023

Activities
Activities for the Entropy via Grand-Isobaric Ensemble Monte Carlo model.
download 102kb .pdf
Last Modified: December 3, 2023

1 source code document is available

.zip

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

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	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 December 3, 2023 by Wolfgang Christian
Record Updated:: December 3, 2023 by Wolfgang Christian
Last Update when Cataloged:: December 3, 2023
Other Collections:: The Open Source Physics

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Record Link

<a href="https://www.compadre.org/portal/items/detail.cfm?ID=16685">Fernandes, Fernando Silva. "Entropy via Grand-Isobaric Ensemble Monte Carlo model."</a>

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 December 6, 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 6 December 2024).

MLA Format

Fernandes, Fernando Silva. Entropy via Grand-Isobaric Ensemble Monte Carlo model. Computer software. 2023. Java (JRE) 1.6. 6 Dec. 2024 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=16685&DocID=5843>.

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@misc{ Author = "Fernando Silva Fernandes", Title = {Entropy via Grand-Isobaric Ensemble Monte Carlo model}, Month = {December}, Year = {2023} }

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%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.

relation by Wolfgang Christian

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