Grand Canonical Monte Carlo Simulation of Lennard-Jones Fluid

Molecular simulation of Lennard-Jones fluid in Grand Canonical ensemble using Metropolis Monte Carlo method, with Fortran 90 programming language in order to obtain internal potential energy, pressure, and chemical potential of the fluid.

An open system of particles with constant chemical potential, volume, and temperature can be described by the grand canonical ensemble (μ, V, T ).

This system is in thermal equilibrium with a reservoir and exchanges particles with the reservoir in addition to heat. The system and reservoir have the same chemical potential and temperature, but the number of particles, internal energy, and pressure are fluctuating variables of the system.

The objective of this project is to study the classical grand canonical ensemble of a pure monotomic fluid that is in contact with a very big reservoir of ideal gas with the same particles as that of the fluid. The interacting potential energy of the fluid is described by the Lennard-Jones potential. By applying Metropolis Monte Carlo simulation to this system, its thermodynamic parameters are calculated.

By purchasing this project you will get Simulation code (a Fortran 90 project for simulation of Lennard-Jones fluid in (μ, V, T )-constant ensemble with Metropolis Monte Carlo method) and Report ( containing theoretical study of grand canonical ensemble, Lennard-Jones fluid, Monte Carlo trial moves, Metropolis acceptance criteria, and long-range corrections; along with the report and results of simulation compared to the Nicholas and Johnson equations of state.). I can also support you with compiling and running the program, and any possible question you may have.

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Project ID: MC-GC–LJ-GCE

This project will be sent to your email account within 8 hours.


For any inquiry about this project before and/or after purchase please fill in the following form and submit it to Detailed Solution.

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