GCMC Simulation Dataset of Hydrogen Storage in GMOFs and Related MOFs Generated with mcmgs

This dataset contains input and output files of the GCMC simulations of the hydrogen storage capacities of GMOFs and related MOFs, performed with the mcmgs code. It also includes xmgrace, data and eps files plotting the results of the GCMC simulations. The mcmgs source, some examples of input and output files and instructions to compile and run the code can be found in the GitHub platform at https://github.com/ivancabria/mcmgs The dataset includes: - Generic input files for each GMOF and MOF (Only one per material) - Output files at room temperature and at pressures between 0.5 and 35 MPa - Scripts to run and/or to analyze the results - xmgrace, data and eps files plotting the results The dataset consists on several tar.gz files: Name of the file Content mcmgs-MOF-GMOFs.tar.gz Input and output files of the GMOFs mcmgs-MOF-GMOF-selected-C-Co.tar.gz Input and output files of MOFs with the same C/Co ratio as the GMOFs mcmgs-MOF-GMOF-selected-poro-dens-Rmax_ZEO-selected-SSA-SPV.tar.gz Input and output files of MOFs with similar porosity, density and maximum pore size as the GMOFs and MOFs with similar SSA and SPV (specific pore volume) as the GMOFs mcmgs-RESULTS_GMOF.tar.gz xmgrace, data and eps files There are scripts files in all the tar.gz files