RT Journal Article T1 Zeolites for CO2-CO-O2 separation to obtain CO2-neutral fuels A1 Pérez Carbajo, Julio A1 Matito Martos, Ismael A1 Balestra, Salvador R. G. A1 Tsampas, Mihalis N A1 van de Sanden, Mauritius CM A1 Delgado, Jose A A1 Águeda, V Ismael A1 Merkling, Patrick A1 Calero, Sofía K1 CO2-neutral fuel K1 Zeolites K1 Gas separation K1 CO2 K1 CO K1 O2 AB Carbon dioxide release has become an important global issue due to the significant and continuous rise in atmospheric CO2 concentrations and depletion of carbon-based energy resources. Plasmolysis is a very energy efficient process for reintroducing CO2 into energy and chemical cycles, by converting CO2 into CO and O2 utilizing renewable electricity. The bottleneck of the process is that CO remains mixed with O2 and residual CO2. Therefore, efficient gas separation and recuperation is essential for obtaining pure CO, which via water gas shift and Fischer-Tropsch reactions, can lead to the production of CO2 neutral fuels. The idea behind this work is to provide a separation mechanism based on zeolites to optimize the separation of carbon dioxide, carbon monoxide and oxygen at mild operational conditions. To achieve this goal, we performed a thorough screening of available zeolites based on topology and adsorptive properties using molecular simulation and Ideal Adsorption Solution Theory. FAU, BRE and MTW are identified as suitable topologies for these separation processes. FAU can be used for the separation of carbon dioxide from carbon monoxide and oxygen and BRE or MTW for the separation of carbon monoxide from oxygen. These results are reinforced by pressure swing adsorption simulations at room temperature combining adsorption columns with pure silica FAU zeolite and zeolite BRE at a Si:Al ratio of 3. These zeolites have the added advantage of being commercially available. PB American Chemical Society YR 2018 FD 2018 LK https://hdl.handle.net/10433/19934 UL https://hdl.handle.net/10433/19934 LA en NO ACS Applied Materials and Interfaces. Volume 10, pp.20512-20520 (2018) NO This work is supported by the European Research Council through an ERC Starting Grant (ERC2011-StG-279520-RASPA and the Spanish Ministerio de Economía y Competitividad (CTP2016-80206-P). I. Matito-Martos and S. R. G. Balestra thank Spanish Ministerio de Economía y Competitividad for their predoctoral fellowships. NO Universidad Pablo de Olavide, Departamento de Sistemas Físicos, Químicos y Naturales DS RIO RD May 9, 2026