![]() Grand Canonical Monte Carlo Model
written by
Fernando Silva Fernandes
The Grand Canonical Monte Carlo Model illustrates grand canonical ensemble (µVT) Monte Carlo simulations: the chemical potential, volume and temperature are the system constraints. This means that the system has porous and diabatic walls, exchanging molecules and heat with a reservoir at constant chemical potential and temperature. The molecules interact through the Lennard-Jones. potential and fluid states at densities 0.0025 ? ? ? 0.85 and temperatures
T ? 0.70 can be simulated. Although the volume is kept constant, the number of molecules fluctuates and so does the density. The aim is to reach a chemical potential approaching the imposed one. The input fields can be edited to probe different regions of the phase diagram. Chemical potentials, activity coefficients, Helmholtz free energies, entropies and their excess contributions are worked out. The Grand Canonical Monte Carlo 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).
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![]() <a href="https://www.compadre.org/portal/items/detail.cfm?ID=13255">Fernandes, Fernando Silva. "Grand Canonical Monte Carlo Model."</a>
![]() F. Fernandes, Computer Program GRAND CANONICAL MONTE CARLO MODEL (2014), WWW Document, (https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780).
![]() F. Fernandes, Computer Program GRAND CANONICAL MONTE CARLO MODEL (2014), <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780>.
![]() Fernandes, F. (2014). Grand Canonical Monte Carlo Model [Computer software]. Retrieved February 12, 2025, from https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780
![]() Fernandes, Fernando Silva. "Grand Canonical Monte Carlo Model." https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780 (accessed 12 February 2025).
![]() Fernandes, Fernando Silva. Grand Canonical Monte Carlo Model. Computer software. 2014. Java (JRE) 1.6. 12 Feb. 2025 <https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780>.
![]() @misc{
Author = "Fernando Silva Fernandes",
Title = {Grand Canonical Monte Carlo Model},
Month = {May},
Year = {2014}
}
![]() %A Fernando Silva Fernandes %T Grand Canonical Monte Carlo Model %D May 20, 2014 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780 %O application/java ![]() %0 Computer Program %A Fernandes, Fernando Silva %D May 20, 2014 %T Grand Canonical Monte Carlo Model %8 May 20, 2014 %U https://www.compadre.org/Repository/document/ServeFile.cfm?ID=13255&DocID=3780 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.
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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. Grand Canonical 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 Grand Canonical Monte Carlo Model. relation by Wolfgang ChristianKnow of another related resource? Login to relate this resource to it. |
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