Description
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.
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.
| Date made available | 14 Apr 2023 |
|---|---|
| Publisher | TU Delft - 4TU.ResearchData |
| Geographical coverage | Delft, The Netherlands |
Research output
- 1 Article
-
RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models
Sharma, S., Balestra, S. R. G., Baur, R., Agarwal, U., Zuidema, E., Rigutto, M. S., Calero, S., Vlugt, T. J. H. & Dubbeldam, D., 2023, In: Molecular Simulation. 49, 9, p. 893-953Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile38 Link opens in a new tab Citations (Scopus)1324 Downloads (Pure)
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