Molecular Simulation
Volume 49, 2023 - Issue 9
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Research Articles
RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models
Shrinjay Sharmaa Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Delft, The NetherlandsView further author information
, Salvador R. G. Balestrab Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Sevilla, SpainView further author information
, Richard Baurc Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information
, Umang Agarwalc Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information
, Erik Zuidemac Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information
, Marcello S. Riguttoc Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information
, Sofia Calerod Department of Applied Physics and Science Education, Eindhoven University of Technology, Eindhoven, The NetherlandsView further author information
, Thijs J. H. Vlugta Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Delft, The Netherlands
https://orcid.org/0000-0003-3059-8712View further author information
David Dubbeldame Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, The NetherlandsCorrespondence[email protected]
https://orcid.org/0000-0002-4382-1509View further author information
Pages 893-953
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Received 09 Jan 2023, Accepted 31 Mar 2023, Published online: 12 May 2023
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