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Sample simulation input file and data sets for the article: "Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities."

  • Shrinjay Sharma (Creator)
  • Marcello S. Rigutto (Creator)
  • Richard Baur (Creator)
  • Umang Agarwal (Creator)
  • Erik Zuidema (Creator)
  • Salvador R.G. Balestra (Creator)
  • Sofia Calero (Creator)
  • David Dubbeldam (Creator)
  • Thijs J.H. Vlugt (Delft University of Technology) (Creator)

Dataset

Description

This folder contains simulation input files and datasets for calculation of pure component isotherms, mixture isotherms and breakthrough curves for the separation of:1) CO2 and C3H8 molecules in MOR-type zeolite at 300K2) nC4 and 2mC3 molecules in MFI-type zeolite at 400K
Date made available14 Apr 2023
Publisher4TU.Centre for Research Data
Geographical coverageDelft, The Netherlands

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