Prediction of adsorption isotherms from breakthrough curves
| Autor: | Jorge Gascon, Martijn F. de Lange, Ariana Torres-Knoop, Eduardo Andres-Garcia, Ali Poursaeidesfahani, David Dubbeldam, Freek Kapteijn, Nitish Nair, Thijs J. H. Vlugt, Marcello Stefano Rigutto |
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| Přispěvatelé: | CC overig (HIMS, FNWI), Molecular Simulations (HIMS, FNWI) |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
Thermodynamics 02 engineering and technology 010402 general chemistry Dispersion coefficient 01 natural sciences Gas phase Condensed Matter::Materials Science symbols.namesake Effective mass (solid-state physics) Adsorption Mass transfer General Materials Science Physics::Chemical Physics Adsorption isotherm Zeolite Packed bed Langmuir adsorption model General Chemistry Dispersion 021001 nanoscience & nanotechnology Condensed Matter Physics 0104 chemical sciences Mechanics of Materials symbols breakthrough curve 0210 nano-technology |
| Zdroj: | Microporous and Mesoporous Materials, 277, 237-244. Elsevier Microporous and Mesoporous Materials, 277 |
| ISSN: | 1387-1811 |
| DOI: | 10.1016/j.micromeso.2018.10.037 |
| Popis: | A mathematical model is used to predict adsorption isotherms from experimentally measured breakthrough curves. Using this approach, by performing only breakthrough experiments for a mixture of two (or more) components, one can obtain pure component adsorption isotherms up to the pressure of the experiment. As a case study, the adsorption of an equimolar mixture of CO2 and CH4 in zeolite ITQ-29 is investigated. Pure component linear adsorption isotherms for CO2 and CH4 are predicted by fitting the theoretical breakthrough curves to the experimental ones. Henry coefficients obtained from our approach are in excellent agreement with those measured experimentally. A similar procedure is applied to predict the complete Langmuir adsorption isotherm from breakthrough curves at high pressures. The resulting adsorption isotherms are in very good agreement with those measured experimentally. In our model for transient adsorption, mass transfer from the gas phase to the adsorbed phase is considered using the Linear Driving Force model and dispersion of the gas phase in the packed bed is taken into account. IAST is used to compute the equilibrium loadings for a mixture of gases. The influence of the dispersion coefficient and the effective mass transfer coefficient on the shape of breakthrough curves is investigated and discussed. Rough estimations of these values are sufficient to predict adsorption isotherms from breakthrough curves. |
| Databáze: | OpenAIRE |
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