Solvent-catalyst optimization of ionic liquid-based CO2 conversion to propylene carbonate: Laboratory validation and techno-economic analysis

Process Simulation and Optimization on Ionic Liquids

“…Recently, Hernańdez et al 39 have developed an iterative methodology that combined experiments and process simulations to exploit process simulations and obtain more representative experimental data and, thus, synergistically improve the simulation rigor. The initial experimental study of the different reaction conditions (temperature and presence of fatty alcohols and water) was performed using [P 66614 ][Br] to determine the optimal combination of the solvent and catalyst for converting CO 2 to PC.…”

“…Additionally, in the separation stage, water reduced the energy and vacuum requirements. The study conducted by Hernańdez et al, 39 on the other hand, rigorously addressed the simulation, including the byproducts, which imposed a more challenging step in the process engineering but showed the potential of process simulations for describing complex processes involving byproducts.…”

“…Nevertheless, the most recent studies have reported a substantial reduction in energy consumption, namely those processes that use liquid−liquid extraction as an IL separation strategy. 47,48,66,78 Regarding the cost calculation, only four studies calculated the utility costs (for producing propylene and diethyl carbonates), 39,48,140,218 and only two examples of detailed capital costs (for producing PC) were available in the literature. 48,140 For the utility costs calculated for producing PC, the values obtained in these studies were consistent and in the same range (0.4−9.3 $/t product ).…”

“…In this respect, process simulations have also been used as a computational tool to guide fundamental experimental studies in the research of IL applications. 39,49,50 Nevertheless, the use of commercial process simulators for modeling IL industrial processes was a difficult task comprising several straightforward methodological questions. 51 First, ILs were scarcely included in the databases of commercial process simulators.…”

Energy Applications of Ionic Liquids: Recent Developments and Future Prospects

“…The metal salts could further improve the catalytic performance of the IL-based systems via a different mechanism (Figure c). Metals and oxygen atoms in the epoxide ring form a complex, stabilizing the intermediates and transition states and lowering the energy barriers to open the ring. ,− In addition, more diverse efforts were paid to IL-catalyzed cycloaddition including new ILs, ,− IL-based mixtures, − poly­(ILs), − and supported methods (e.g., silica substrates, , MOFs, , COFs, and polymers).…”