Effect of Light Gases in the Ethane/Ethylene Separation Using Zeolitic Imidazolate Frameworks
| Autor: | Ana Martin-Calvo, Juan José Gutiérrez-Sevillano, Sofia Calero, Francisco D. Lahoz-Martín |
|---|---|
| Přispěvatelé: | Chemical Engineering and Industrial Chemistry |
| Rok vydání: | 2018 |
| Předmět: |
Ethylene
02 engineering and technology atom force field 010402 general chemistry ethylene/ethane separation 01 natural sciences Methane Mixed matrix membranes chemistry.chemical_compound Adsorption Physical and Theoretical Chemistry Metal-Organic Frameworks MOF Air separation ethene/ethane dynamics ethane 021001 nanoscience & nanotechnology 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Separation process General Energy Chemical engineering chemistry Metal-organic framework 0210 nano-technology ZIF-8 Carbon monoxide Zeolitic imidazolate framework |
| Zdroj: | The Journal of Physical Chemistry C. 122:8637-8646 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.8b01305 |
| Popis: | We use molecular simulations to study the adsorption of ethane and ethylene in zeolitic imidazolate frameworks. The separation of these two compounds is a crucial step in many industrial processes, most of them related to production of ethylene. Separation methods such as fractional cryogenic distillation require large energy consumption that increases the costs of ethylene production. Here, we analyze the suitability of zeolitic imidazolate frameworks for the separation of these gases on the basis of structural and chemical features. We pay special attention to the effect exerted by other gases on the adsorption and diffusion of ethane and ethylene in the structures. We found that nitrogen has an important role in the separation process and depending on the structure, it can enhance or hinder the adsorption selectivity for ethane. The presence of gases other than nitrogen also causes an effect on the ethane/ethylene separation. A mixture containing hydrogen, oxygen, methane, carbon monoxide, carbon dioxide, ethane, and ethylene in zeolitic imidazolate frameworks is also investigated. Our results identify ZIFs with rho, crg, and lta topologies as good candidates for the separation of ethane and ethylene. |
| Databáze: | OpenAIRE |
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