Supporting Information RASPA3: A Monte Carlo Code for Computing Adsorption and Diffusion in Nanoporous Materials and Thermodynamics Properties of Fluids

Creators
Publication date 2024
Description The supplementary material contains simulation results on adsorption of methane and CO2 in MFI, an equimolar mixture of CO2 and N2 in MFI, adsorption of CO2 in Cu-BTC, a Gibbs VLE simulation of methane, and diffusivity results on small gas molecules in IRMOF-1.
Publisher AIP Publishing
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Document type Dataset
Related publication RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
DOI https://doi.org/10.60893/figshare.jcp.26896942.v1
Other links https://aip.figshare.com/articles/dataset/Supporting_Information_RASPA3_A_Monte_Carlo_Code_for_Computing_Adsorption_and_Diffusion_in_Nanoporous_Materials_and_Thermodynamics_Properties_of_Fluids/26896942/1
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