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Grand Canonical Monte Carlo (GCMC) simulations for adsorption isotherms

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adsorption

Grand Canonical Monte Carlo (GCMC) simulations for adsorption isotherms using PorousMaterials.jl

Term Project for Northeastern CHME 7330 Thermodynamics

To run the code:

  1. Clone the repo and navigate to the root directory.
  2. Install Julia.
  3. Run the julia command in your terminal. You should now be in the Julia REPL.
  4. Type ] to enter package mode.
  5. Type activate . to activate the package environment specified by the Project.toml file.
  6. Type instantiate to install and precompile the dependencies needed to run the notebook.
  7. Press backspace to go back to REPL mode and enter using IJulia; notebook()
  8. Follow the instructions and a jupyter notebook tab should open in your browser.
  9. Click on gcmc.ipynb and have fun!

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Grand Canonical Monte Carlo (GCMC) simulations for adsorption isotherms

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