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- Modeling the deactivation of CaO-based sorbents during multiple Ca-looping cycles for CO2 post-combustion capturePublication . Abreu, Miguel; Teixeira, Paula; Filipe, Rui; Domingues, Luís; Pinheiro, Carla; Matos, Henrique A.A novel model is presented for the estimation of natural CaO-based sorbents carbonation reactivity decay during Calcium Looping carbonation-calcination cycles. The model consists of a cyclic framework of two sub-models, the Overlapping Grain Model and the novel proposed modified Rate Theory for the Pore Size Distribution model. The model was implemented in gPROMS ModelBuilder (R) and parameter estimation was used for model validation using experimental data from three CaO-based sorbent precursors. The carbonation profile for the three sorbents was simulated with average deviations under 5%. The calcination sub-model predicted the evolution of total porous volume and total surface area for the calcination and sintering of dolomite, with an error of 3%. The cyclic framework successfully predicted the carbonation behavior of dolomite for 20 carbonation-calcination cycles. The model can be used for other CaO-based sorbents and the flexible modular structure allows the integration of other modules or approaches.
- Supercritical CO2 extraction of spent coffee grounds. Influence of co-solvents and characterization of the extractsPublication . Coelho, Jose; Filipe, Rui; Robalo, M. Paula; Boyadzhieva, Stanislava; Cholakov, Georgi; Stateva, RoumianaSpent coffee grounds (SCGs) were extracted with supercritical CO2 at temperatures of 313 K and 333 K, pressures up to 50.0 MPa and different scCO(2) flow rates. The addition of co-solvents isopropanol, ethanol and ethyl lactate decreased the time to achieve the maximum oil yield, to half of that with pure CO2. Analysis of the extracted oils by NMR, showed that caffeine content was (0.56-3.96) % and DUFA and MUFA contents changed within (39.8-42.0) % and (12.9-15.8) %, respectively. The analyses of fatty acids performed by GC-FID revealed the composition of the oils being 76 % of the total constituted by palmitic and linoleic esters. The DPPH antioxidant capacity was improved up to 12.5 times with co-solvents. The kinetics of oil extraction from SCGs with pure scCO(2) was modeled successfully by combining for the first time representation of the oil mixture by a single virtual molecule with group contribution methods.
- A strategy to extend reactive distillation column performance under catalyst deactivationPublication . Filipe, Rui; Matos, Henrique A.; Novais, Augusto Q.This work addresses the effects of catalyst deactivation and investigates methods to reduce their impact on the reactive distillation columns performance. The use of variable feed quality and reboil ratio are investigated using a rigorous dynamic model developed in gPROMS and applied to an illustrative example, i.e., the olefin metathesis system, wherein 2-pentene reacts to form 2-butene and 3-hexene. Three designs and different strategies on column energy supply to tackle catalyst deactivation are investigated and the results compared.