| Autor: |
D. Hospital-Benito, J. Lemus, C. Moya, R. Santiago, J. Palomar |
| Jazyk: |
angličtina |
| Rok vydání: |
2022 |
| Předmět: |
|
| Zdroj: |
Chemical Engineering Journal Advances, Vol 10, Iss , Pp 100291- (2022) |
| Druh dokumentu: |
article |
| ISSN: |
2666-8211 |
| DOI: |
10.1016/j.ceja.2022.100291 |
| Popis: |
A wide variety of Aprotic N‑Heterocyclic Anion-based Ionic Liquids (AHA-ILs) were designed using DFT/COSMO-RS quantum chemical calculations to optimize their performance as chemical absorbents on industrial-scale CO2 capture processes by tailoring the enthalpy of reaction. Five different substituents located at multiple positions on eight different heterocyclic rings were considered to cover a wide range of CO2-IL reaction enthalpies. Twelve representative AHA-ILs based on [P66614] cation with an enthalpy of reaction from -30 to -64 kJ/mol were evaluated on post-combustion, biogas and pre-combustion CO2 chemical capture processes through Aspen Plus Rate-based simulations. AHA-ILs presenting a CO2 reaction enthalpy between -43 and -54 kJ/mol were found to minimize both solvent and energy consumptions and thus equipment and operating costs in all studied CO2 capture systems, since cyclic capacity is successfully optimized by a correct selection of the reaction enthalpy. Some non-synthesized AHA-ILs, as [P66614][4-BrPyra] (-49.3 kJ/mol), are proposed as promising CO2 chemical absorbents based on their enhanced performance in post-combustion, biogas and pre-combustion capture processes from current techno-economic analysis. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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