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

  • Y.A. Ran (Ontwerper)
  • Shrinjay Sharma (Ontwerper)
  • Salvador R.G. Balestra (Ontwerper)
  • Z. Li (Ontwerper)
  • Sofia Calero (Ontwerper)
  • T.J.H. Vlugt (Delft University of Technology) (Ontwerper)
  • Randall Q. Snurr (Ontwerper)
  • David Dubbeldam (Ontwerper)

Dataset

Omschrijving

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.
Datum van beschikbaarheid16 sep. 2024
UitgeverAIP Publishing

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