Simulation input files and datasets for the article: "RUPTURA: Simulation Code for Breakthrough, Ideal Adsorption Solution Theory Computations, and Fitting of Isotherm Models".

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

Dataset

Omschrijving

This folder contains:1) examples for simulating breakthrough curves, estimating mixture adsorption isotherms and fitting of pure component isotherms. These examples are also present in the open source code RUPTURA (https://github.com/iRASPA/RUPTURA.git).2) datasets for validating the breakthrough curve model (Separation of 2mC4 and 2mC5 in MFI-type zeolite at 473K and 5 bar). Experimental datasets are obtained from the following reference:E. Jolimaitre, K. Ragil, M. Tayakout-Fayolle, and C. Jallut. Separation of mono and dibranched hydrocarbons on silicalite. AIChE J., 48:1927–1937, 2002.
Datum van beschikbaarheid14 apr. 2023
Uitgever4TU.Centre for Research Data
Geografische dekkingDelft, The Netherlands

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  • 1 Tijdschriftartikel

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