Reactor design in carbon capture and utilization to produce cyclic carbonates using ionic liquids: Catalytic essays and techno-economic analysis
This work advances in the development of new carbon capture and utilization (CCU) technology to produce cyclic carbonates based on ionic liquids (ILs) through two main contributions: i) Experimental kinetic allowing rigorous reactor design and sizing at process scale for the first time; and ii) reli...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2026 |
| País: | España |
| Institución: | Universidad Autónoma de Madrid |
| Repositorio: | Biblos-e Archivo. Repositorio Institucional de la UAM |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.uam.es:10486/752941 |
| Acceso en línea: | https://hdl.handle.net/10486/752941 https://dx.doi.org/10.1016/j.cej.2026.173799 |
| Access Level: | acceso abierto |
| Palabra clave: | CO2 capture CO2 conversion Ionic liquids Kinetics TEA LCA Química |
| Sumario: | This work advances in the development of new carbon capture and utilization (CCU) technology to produce cyclic carbonates based on ionic liquids (ILs) through two main contributions: i) Experimental kinetic allowing rigorous reactor design and sizing at process scale for the first time; and ii) reliable techno-economic analysis (TEA) combined with life cycle assessment (LCA). The proposed CCU uses two ILs: CO2 is captured from a precombustion stream using aprotic heterocyclic anion-based ILs (AHA-ILs) as a CO2 chemical-physical adsorbent, and CO2 conversion occurs using halide-ILs as a catalyst to produce hexylene carbonate (Hex-C). A water-based liquid-liquid extraction strategy is proposed for IL/Hex-C separation. A multiscale research methodology, combining iterative computational-experimental approaches, is applied, integrating molecular modelling, catalytic tests, kinetic regression, phase equilibrium measurements, process simulation, TEA, and LCA. DFT/COSMORS screening selects [bmim][I] as optimal IL for the CO2 cycloaddition reaction to the epoxide, considering both catalytic activity and separation feasibility. Catalytic essays are then performed to identify the optimal operating pressure for the reactor, revealing that 20 bar minimizes energy consumption. Afterwards, the kinetic study allows designing the reactor, which was conveniently sized to assess reliable TEA and LCA. The results indicate that increasing the residence time leads to higher conversion rates, requiring a larger reactor but reducing the final costs of the process. Achieved key performance indicators (KPIs) are capital and operating expenses (CAPEX and OPEX) of 161 $ and 153$ per ton CO2 converted, respectively. In terms of Global Warming Potential (GWP), the proposed process emits approximately 0.34 kg of CO2 per kg of converted CO2 when considering only utilityrelated emissions, thus supporting the goal of emission reduction |
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