This paper describes a Monte Carlo computer simulation study of connectivity effects in a system of two parallel slit pores and a quasi-one-dimensional joint. A numerical method for evaluation of accessible volume in computer simulation studies of adsorption in pores is presented and applied to simple slit pores and systems of interconnected pores. A local version of the grand canonical ensemble Monte Carlo method is used to study adsorption under conditions mimicking mass transfer limitations.

Original languageEnglish
Pages (from-to)759-763
Number of pages5
JournalMolecular Simulation
Volume31
Issue number11
DOIs
StatePublished - 15 Sep 2005

    Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Chemical Engineering(all)
  • Modelling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics

    Research areas

  • Accessible volume, Adsorption, Monte Carlo simulation, Pore connectivity

ID: 34660715