TY - DATA
T1 - Simulation input files and datasets for the article: "RUPTURA: Simulation Code for Breakthrough, Ideal Adsorption Solution Theory Computations, and Fitting of Isotherm Models".
PY - 2023/04/14
AU - Shrinjay  Sharma
AU - Salvador R.G.  Balestra
AU - Richard Baur
AU - Umang Agarwal
AU - Erik Zuidema
AU - Marcello S. Rigutto
AU - Sofia Calero
AU - Thijs Vlugt
AU - David Dubbeldam
UR - 
DO - 10.4121/4943dc0f-d908-4215-89ce-b9a6163930d2.v1
KW - Adsorption, Breakthrough Curve, Separation
N2 - <p>This folder contains:</p><p>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).</p><p>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:</p><p>E. Jolimaitre, K. Ragil, M. Tayakout-Fayolle, and C. Jallut. Separation of mono and dibranched hydrocarbons on silicalite. AIChE J., 48:1927–1937, 2002.</p>
ER -