@inproceedings{BuergerFloresAlsinaArellanoGarciaetal., author = {B{\"u}rger, Patrick and Flores-Alsina, Xavier and Arellano-Garc{\´i}a, Harvey and Gernaey, Krist V.}, title = {Improving the prediction of phosphate dynamics in biotechnological processes: A case study based on antibiotic production using Streptomyces coelicolor}, series = {27th European Symposium on Computer Aided Process Engineering, Spain, 2017}, booktitle = {27th European Symposium on Computer Aided Process Engineering, Spain, 2017}, editor = {Espu{\~n}a, Antonio and Graells, Mois{\`e}s and Puigjaner, Luis}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {978-0-444-63965-3}, pages = {2869 -- 2874}, language = {en} } @misc{BuergerFloresAlsinaArellanoGarciaetal., author = {B{\"u}rger, Patrick and Flores-Alsina, Xavier and Arellano-Garc{\´i}a, Harvey and Gernaey, Krist V.}, title = {Improved Prediction of Phosphorus Dynamics in Biotechnological Processes by Considering Precipitation and Polyphosphate Formation: A Case Study on Antibiotic Production with Streptomyces coelicolor}, series = {Industrial \& engineering chemistry research}, volume = {57}, journal = {Industrial \& engineering chemistry research}, issn = {1520-5045}, doi = {10.1021/acs.iecr.7b05249}, abstract = {Improved Prediction of Phosphorus Dynamics in Biotechnological Processes by Considering Precipitation and Polyphosphate Formation: A Case Study on Antibiotic Production with Streptomyces coelicolor}, language = {en} } @misc{BaenaMorenoGonzalezCastanoArellanoGarciaetal., author = {Baena-Moreno, Francisco Manuel and Gonz{\´a}lez-Casta{\~n}o, Miriam and Arellano-Garc{\´i}a, Harvey and Ramirez Reina, Tomas}, title = {Exploring profitability of bioeconomy paths: Dimethyl ether from biogas as case study}, series = {Energy}, volume = {225}, journal = {Energy}, issn = {0360-5442}, doi = {10.1016/j.energy.2021.120230}, pages = {9}, abstract = {Herein a novel path is analysed for its economic viability to synergize the production of biomethane and dimethyl ether from biogas. We conduct a profitability analysis based on the discounted cash flow method. The results revealed an unprofitable process with high cost/revenues ratios. Profitable scenarios would be reached by setting prohibitive DME prices (1983-5566 €/t) or very high feed-in tariffs subsidies (95.22 €/MWh in the best case scenario). From the cost reduction side, the analysis revealed the need of reducing investment costs. For this purpose, we propose a percentage of investment as incentive scheme. Although the size increase benefits cost/revenues ratio, only the 1000 m3/h biogas plant size will reach profitability if 90\% of the investment is subsidized. A sensitivity analysis to check the influence of some important economical parameters is also included. Overall this study evidences the big challenge that our society faces in the way towards a circular economy.}, language = {en} } @misc{GonzalezCastanoSacheBerryetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Sach{\´e}, Estelle le and Berry, Cameron and Pastor-P{\´e}rez, Laura and Arellano-Garc{\´i}a, Harvey and Wang, Qiang and Ramirez Reina, Tomas}, title = {Nickel Phosphide Catalysts as Efficient Systems for CO2 Upgrading via Dry Reforming of Methane}, series = {Catalysts}, volume = {11}, journal = {Catalysts}, number = {4}, issn = {2073-4344}, doi = {10.3390/catal11040446}, abstract = {This work establishes the primordial role played by the support's nature when aimed at the constitution of Ni2P active phases for supported catalysts. Thus, carbon dioxide reforming of methane was studied over three novel Ni2P catalysts supported on Al2O3, CeO2 and SiO2-Al2O3 oxides. The catalytic performance, shown by the catalysts' series, decreased according to the sequence: Ni2P/Al2O3 > Ni2P/CeO2 > Ni2P/SiO2-Al2O3. The depleted CO2 conversion rates discerned for the Ni2P/SiO2-Al2O3 sample were associated to the high sintering rates, large amounts of coke deposits and lower fractions of Ni2P constituted in the catalyst surface. The strong deactivation issues found for the Ni2P/CeO2 catalyst, which also exhibited small amounts of Ni2P species, were majorly associated to Ni oxidation issues. Along with lower surface areas, oxidation reactions might also affect the catalytic behaviour exhibited by the Ni2P/CeO2 sample. With the highest conversion rate and optimal stabilities, the excellent performance depicted by the Ni2P/Al2O3 catalyst was mostly related to the noticeable larger fractions of Ni2P species established}, language = {en} } @misc{GonzalezCastanoNavarrodeMiguelSinhaetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Navarro de Miguel, Juan Carlos and Sinha, F. and Ghomsi Wabo, Samuel and Klepel, Olaf and Arellano-Garc{\´i}a, Harvey}, title = {Cu supported Fe-SiO2 nanocomposites for reverse water gas shift reaction}, series = {Journal of CO2 Utilization}, volume = {46}, journal = {Journal of CO2 Utilization}, issn = {2212-9820}, doi = {10.1016/j.jcou.2021.101493}, pages = {8}, abstract = {This work analyses the catalytic activity displayed by Cu/SiO2, Cu-Fe/SiO2 and Cu/FSN (Fe-SiO2 nanocomposite) catalysts for the Reverse Water Gas Shift reaction. Compared to Cu/SiO2 catalyst, the presence of Fe resulted on higher CO's selectivity and boosted resistances against the constitution of the deactivation carbonaceous species. Regarding the catalytic performance however, the extent of improvement attained through incorporation Fe species strongly relied on the catalysts' configuration. At 30 L/gh and H2:CO2 ratios = 3, the performance of the catalysts' series increased according to the sequence: Cu/SiO2 < Cu-Fe/SiO2 << Cu/FSN. The remarkable catalytic enhancements provided by Fe-SiO2 nanocomposites under different RWGS reaction atmospheres were associated to enhanced catalyst surface basicity's and stronger Cu-support interactions. The catalytic promotion achieved by Fe-SiO2 nanocomposites argue an optimistic prospective for nanocomposite catalysts within future CO2-valorising technologies.}, language = {en} } @misc{GonzalezCastanoIvanovaIoanidesetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Ivanova, Svetlana and Ioanides, Theophiles and Centeno, Miguel Angel and Arellano-Garc{\´i}a, Harvey and Odriozola, Jos{\´e} Antonio}, title = {Zr and Fe on Pt/CeO2-MOx/Al2O3 catalysts for WGS reaction}, series = {International Journal of Energy Research}, journal = {International Journal of Energy Research}, issn = {1099-114X}, doi = {10.1002/er.6646}, pages = {12}, abstract = {By evaluating the functional modifications induced by Zr and Fe as dopants in Pt/CeO2-MOx/Al2O3 catalysts (M = Fe and Zr), the key features for improving water gas shift (WGS) performance for these systems have been addressed. Pt/ceria intrinsic WGS activity is often related to improved H2 surface dynamics, H2O absorption, retentions and dissociation capacities which are influenced greatly by the support nature. Two metals, iron and zirconia, were chosen as ceria dopants in this work, either in separate manner or combined. Iron incorporation resulted in CO-redox properties and oxygen storage capacities (OSC) improvement but the formation of Ce-Fe solid solutions did not offer any catalytic benefit, while the Zr incorporation influenced in a great manner surface electron densities and shows higher catalytic activity. When combined both metals showed an important synergy evidenced by 30\% higher CO conversions and attributed to greater surface electron densities population and therefore absorption and activity. This work demonstrates that for Pt/ceria catalysts OSC enhancement does not necessarily imply a catalytic promotion.}, language = {en} } @misc{GonzalezCastanoDorneanuArellanoGarcia, author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {The Reverse Water Gas Shift Reaction: A Process Systems Engineering Perspective}, series = {Reaction Chemistry \& Engineering}, journal = {Reaction Chemistry \& Engineering}, issn = {2058-9883}, doi = {10.1039/D0RE00478B}, abstract = {The catalytic reduction of CO2 into value-added products has been considered a compelling solution for alleviating global warming and energy crises. The reverse water gas shift (RWGS) reaction plays a pivotal role among the various CO2 utilization approaches, due to the fact that it produces syngas, the building block of numerous conversion processes. Although a lot of work has been carried out towards the development of a RWGS process, ranging from efficient catalytic systems to reactor units, and even pilot scale processes, there is still a lack of understanding of the fundamental phenomena that take place at the various levels and scales of the process. This contribution presents the main solutions and remaining challenges for a structured, trans- and multidisciplinary framework in which catalysis engineering and process systems engineering can work together to incorporate understanding and methods from both sides, to accelerate the investigation, creation and operation of an efficient industrial CO2 conversion process based on the RWGS reaction.}, language = {en} } @misc{GonzalezAriasGonzalezCastanoArellanoGarciaetal., author = {Gonz{\´a}lez-Arias, Judith and Gonz{\´a}lez-Casta{\~n}o, Miriam and Arellano-Garc{\´i}a, Harvey and Lichtfouse, Eric and Zhang, Zhien}, title = {Unprofitability of small biogas plants without subsidies in the Brandenburg region}, series = {Environmental Chemistry Letters}, journal = {Environmental Chemistry Letters}, issn = {1610-3661}, doi = {10.1007/s10311-020-01175-7}, pages = {7}, abstract = {The circular economy is calling for the rapid use of already-developed renewable energies. However, the successful implementation of those new fuels is limited by economic and political issues. For instance, in the Brandenburg region, Germany, biogas production from anaerobic digestion of biomass and wastes is a current alternative. However, the upgrading biogas to biomethane is still challenging and the economic viability is unknown. Therefore, we performed an economic analysis for biogas upgrading to biomethane in the Brandenburg region. Five biogas plant sizes were analyzed by the method of discounted cash flow. This method yields the net present value of the projects, thus revealing the profitability or non-profitability of the plants. Results indicate profitable outputs for medium and large plants, with net present values between 415 and 7009 k€. However, the smallest plants have net present values from -4250 to -3389 k€, thus needing further economic efforts or subsidies to reach profitability. Indeed, biomethane prices should range between 52.1 and 95.6 €/MWh to make these projects profitable. Combinations of 50\% of investment subsidized and 11.5 €/MWh feed-in tariffs subsidies could make the projects reach profitability. These findings reveal that political actions such as green policies and subsidies are needed to implement green energy. This case study should serve as a potential tool for policy-makers toward a sustainable bioeconomy.}, language = {en} } @misc{BaenaMorenoGonzalezCastanoNavarrodeMigueletal., author = {Baena-Moreno, Francisco Manuel and Gonz{\´a}lez-Casta{\~n}o, Miriam and Navarro de Miguel, Juan Carlos and Miah, Kamal Uddin Mohammad and Ossenbrink, Ralf and Odriozola, Jos{\´e} Antonio and Arellano-Garc{\´i}a, Harvey}, title = {Stepping toward Efficient Microreactors for CO2 Methanation: 3D Printed Gyroid Geometry}, series = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, journal = {ACS Sustainable Chemistry \& Engineering}, number = {24}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c01980}, pages = {8198 -- 8206}, abstract = {This work presents a comparative study towards the development of efficient micro-reactors based on 3D-printed structures. Thus, the study evaluates the influence of the metal substrate geometry on the performance of structured catalysts for the CO2 methanation reaction. For this purpose, 0.5\%Ru-15\%Ni/MgAl2O4 catalyst is wash coated over two different micro-monolithic metal substrates: a conventional parallel channel honeycomb structure and a novel 3D-printed structure with a complex gyroid geometry. The effect of the metal substrate geometry is analyzed for several CO2 sources including ideal flue gas atmospheres, the presence of residual CH4 and CO in the flue gas, as well as simulated biogas sources. The advantages of the gyroid-3D complex geometries over the honeycomb structures are shown for all evaluated conditions, providing at the best-case scenario a 14\% improvement of CO2 conversion. Moreover, this contribution shows that systematically tailoring geometrical features of structured catalysts becomes an effective strategy to achieve improved catalysts performances independent of the flue gas composition. By enhancing the transport processes and the gas-catalyst interactions, the employed gyroid 3D metal substrates enable boosted CO2 conversions and greater CH4 selectivity within diffusional controlled regimes.}, language = {en} } @misc{GonzalezCastanoNavarrodeMiguelPernkovaetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Navarro de Miguel, Juan Carlos and Pernkova, A. and Centeno, Miguel Angel and Odriozola, Jos{\´e} Antonio and Arellano-Garc{\´i}a, Harvey}, title = {Ni/YMnO3 perovskite catalyst for CO2 methanation}, series = {Applied Materials Today}, volume = {23}, journal = {Applied Materials Today}, doi = {10.1016/j.apmt.2021.101055}, abstract = {Ni/YMnO3 perovskite catalyst for CO2 methanation}, language = {en} } @misc{GonzalezCastanoGonzalezAriasSanchezetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Gonz{\´a}lez-Arias, Judith and S{\´a}nchez, Marta Elena and Cara-Jim{\´e}nez, Jorge and Arellano-Garc{\´i}a, Harvey}, title = {Syngas production using CO2-rich residues: From ideal to real operating conditions}, series = {Journal of CO2 utilization}, volume = {52}, journal = {Journal of CO2 utilization}, issn = {2212-9839}, doi = {10.1016/j.jcou.2021.101661}, pages = {10}, language = {en} } @misc{GonzalezAriasGonzalezCastanoSanchezetal., author = {Gonz{\´a}lez-Arias, Judith and Gonz{\´a}lez-Casta{\~n}o, Miriam and S{\´a}nchez, Marta Elena and Cara-Jim{\´e}nez, Jorge and Arellano-Garc{\´i}a, Harvey}, title = {Valorization of biomass-derived CO2 residues with Cu-MnOx catalysts for RWGS reaction}, series = {Renewable Energy}, journal = {Renewable Energy}, number = {182}, issn = {1879-0682}, doi = {10.1016/j.renene.2021.10.029}, pages = {443 -- 451}, abstract = {This study delivers useful understanding towards the design of effective catalytic systems for upgrading real CO2erich residual streams derived from biomass valorization. Within this perspective, a catalysts' series based on (5 wt\%) Cu - (X wt\%) Mn/Al2O3with X¼0, 3, 8, and 10 is employed. The improved catalyst performance achieved through Mn incorporation is ascribed to enhanced Cu dispersions and promoted surface basic concentrations. Under standard RWGS conditions, the highest reaction rates achieved by(5 wt\%) Cu - (8 wt\%) Mn/Al2O3catalyst were associated to improved Cu dispersions along with the constitution of highly active Cu-MnOxdomains. Remarkably, variations on the optimal Cu to Mn ratios were detected as a function of the RWGS reaction conditions. Thus, under simulated CO2-rich residual feedstock's, i.e., in presence of CO and CH4, the further promotion on the Cu dispersion attained by the larger amounts of MnOxrendered the (5 wt\%) Cu - (10 wt\%) Mn/Al2O3catalyst as the best performing sample. Overall, the presented outcomes underline operative strategies for developing catalytic systems with advanced implementation potentialities.}, language = {en} } @misc{GonzalezCastanoNavarrodeMiguelBoelteetal., author = {Gonzalez-Castano, Miriam and Navarro de Miguel, Juan Carlos and Boelte, Jens-H. and Centeno, Miguel Angel and Klepel, Olaf and Arellano-Garc{\´i}a, Harvey}, title = {Assessing the impact of textural properties in Ni-Fe catalysts for CO2 methanation performance}, series = {Microporous and Mesoporous Materials}, volume = {327}, journal = {Microporous and Mesoporous Materials}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2021.111405}, pages = {7}, abstract = {In heterogeneous catalysis, the benefits of employing adequate textural properties on the catalytic performances are usually stated. Nevertheless, the quantification of the extent of improvement is not an easy task since variations on the catalysts' specific areas and pore structures might involve modifications on a number of other surface catalytic features. This study establishes the impact of the catalyst textural properties on the CO2 methanation performance by investigating bimetallic Ni-Fe catalysts supported over carbon supports with different textural properties regarding surface area and pore structure. The comparable metal loading and dispersions attained for all systems enabled establishing forthright relationships between the catalyst textural properties and CO2 methanation rate. Once the influence of the external mass diffusions on the catalysts' performance was experimentally discarded, the estimated Thiele modulus and internal effectiveness (φ and ηEff) values showed that the catalyst performance was majorly governed by the surface reaction rate whilst the pore size affected in no significant manner within the examined range (Dpore = 10.2 to 5.8 nm). Therefore, the rapport between the catalyst performance and surface area was quantified for the CO2 methanation reaction over Ni-Fe catalysts: increasing the surface area from 572 to 802 m2/g permit obtaining ca. 10\% higher CO2 conversions.}, language = {en} } @misc{GonzalezCastanoHaniKourGonzalezAriasetal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Hani Kour, M. and Gonz{\´a}lez-Arias, Judith and Baena-Moreno, Francisco Manuel and Arellano-Garc{\´i}a, Harvey}, title = {Promoting bioeconomy routes: From food waste to green biomethane. A profitability analysis based on a real case study in eastern Germany}, series = {Journal of Environmental Management}, volume = {300}, journal = {Journal of Environmental Management}, issn = {0301-4797}, doi = {10.1016/j.jenvman.2021.113788}, abstract = {Profitability studies are needed to establish the potential pathways required for viable biomethane production in the Brandenburg region of Germany. This work study the profitability of a potential biomethane production plant in the eastern German region of Brandenburg, through a specific practical scenario with data collected from a regional biogas plant located in Alteno (Schradenbiogas GmbH \& Co. KG). Several parameters with potential economic influence such as distance of the production point to the grid, waste utilization percentage, and investment, were analyzed. The results illustrate a negative overall net present value with the scenario of no governmental investment, even when considering trading the CO2 obtained throughout the process. Subsidies needed to reach profitability varied with distance from 13.5 €/MWh to 19.3 €/MWh. For a fixed distance of 15 kms, the importance of percentage of waste utilization was examined. Only 100\% of waste utilization and 75\% of waste utilization would reach profitability under a reasonable subsidies scheme (16.3 and 18.8 €/MWh respectively). Concerning the importance of investment, a subsidized investment of at least 70\% is demanded for positive net present values. Besides, the sensitivity analysis remarks the energy consumption of the biogas upgrading stage, the electricity price, and the energy consumption of biogas production as major parameters to be tackled for the successful implementation of biogas upgrading plants. The results here obtained invite to ponder about potential strategies to further improve the economic viability of this kind of renewable projects. In this line, using the CO2 separated to produce added-value chemicals can be an interesting alternative.}, language = {en} } @misc{GonzalezAriasBaenaMorenoGonzalezCastanoetal., author = {Gonz{\´a}lez-Arias, Judith and Baena-Moreno, Francisco Manuel and Gonz{\´a}lez-Casta{\~n}o, Miriam and Arellano-Garc{\´i}a, Harvey}, title = {Economic approach for CO2 valorization from hydrothermal carbonization gaseous streams via reverse water-gas shift reaction}, series = {Fuel}, volume = {313}, journal = {Fuel}, issn = {0016-2361}, doi = {10.1016/j.fuel.2021.123055}, pages = {1 -- 7}, abstract = {In this work the economic performance of valorizing the gaseous stream coming from hydrothermal carbonization (HTC) of olive tree pruning is presented as a novel strategy to improve the competitiveness of HTC. The valorization of the commonly disregarded gaseous stream produced in this thermochemical treatment was proposed via the Reverse Water-Gas Shift reaction. This allows to obtain syngas for selling and therefore improving the overall economic performance of the process. To this end, three plant sizes were selected (312.5, 625 and 1250 kg/h of biomass processing). The parameters with a higher share in the total cost distribution along with the revenues from the hydrochar and the syngas selling were further evaluated. The results evidenced that with the assumptions taken, the overall process is still not profitable. To reach profitability, syngas selling prices between 2.2 and 3.4 €/m3 are needed, revealing that this proposal is not economically attractive. Alternatively, a lack of competitiveness in the current market is revealed with hydrochar selling prices between 0.41 and 0.64 €/kg to make the project profitable. The catalyst cost, sharing approximately 20\% of the total cost, is the parameter with the highest impact in the total economics of the process. The second one is the hydrogen price production, representing almost 16\% of the total. Investment subsidies are also examined as a potential tool to cover part of the initial investment. These results evidenced that further efforts and measures are needed to push forward in the path towards circular economy societies.}, language = {en} } @misc{TarifaGonzalezCastanoCazanaetal., author = {Tarifa, Pilar and Gonz{\´a}lez-Casta{\~n}o, Miriam and Caza{\~n}a, F. and Monz{\´o}n, Antonio and Arellano-Garc{\´i}a, Harvey}, title = {Development of one-pot Cu/cellulose derived carbon catalysts for RWGS reaction}, series = {Fuel}, volume = {Vol. 319}, journal = {Fuel}, issn = {0016-2361}, doi = {10.1016/j.fuel.2022.123707}, pages = {7}, abstract = {A series of Cu-based catalysts promoted with Fe, Ce and Al supported on cellulose derived carbon (CDC) was prepared by biomorphic mineralization technique for the RWGS reaction. The excellent Cu dispersions (7 nm at ca. 30 wt\% Cu) along with the resilience toward metal sintering attained in the entire catalysts series highlight one-pot decomposition of cellulose under reducing atmosphere as an excellent synthesis method which enable obtaining well-dispersed Cu nanoparticles. The influence of incorporating a second metal oxide over biomorphic mineralized Cu systems was also investigated. With the Cu-Ce system exhibiting the best catalyst performance of the catalysts' series, the enhanced catalyst performances were majorly ascribed to the catalysts redox properties. The lineal relationships stablished between oxygen exchange capacity and CO2 conversion rates remarks the employed sequential H2/CO2 cycles as an effective methodology for screening the catalytic performance of Cu catalysts for RWGS reaction.}, language = {en} } @misc{MahmoodGonzalezCastanoPenkovaetal., author = {Mahmood, Safdar and Gonz{\´a}lez-Casta{\~n}o, Miriam and Penkova, Anna and Centeno, Miguel Angel and Odriozola, Jos{\´e} Antonio and Arellano-Garc{\´i}a, Harvey}, title = {CO2 methanation on Ni/YMn1-xAlxO3 perovskite catalysts}, series = {Applied Materials Today}, volume = {29}, journal = {Applied Materials Today}, issn = {2352-9407}, doi = {10.1016/j.apmt.2022.101577}, pages = {1 -- 11}, abstract = {Seeking for advanced catalytic systems for the CO2 methanation reaction, the use of Ni supported catalysts over redox materials is often proposed. Profiting the superior redox properties described for layered perovskite systems, this work has investigated a series Ni supported YMn1-xAlxO3 (x = 0, 0.2, 0.5, 0.8, 1) perovskite catalysts. The obtained results evidenced the impact of the support nature on the systems redox properties and Ni-support interactions. Within the catalysts series, the greater methanation rates displayed by Ni/YMn0.5Al0.5O3 catalyst (0.748 mmolCO2,conv.s-1 gNi -1 at 400 ◦C and 60 L/gh) were associated to the interplay between the support redox properties and superior Ni dispersion. The improved redox behavior attained through the Al-incorporation (up to x = 0.5) was associated to the layered perovskite structures which, being distorted and constituted by smaller crystal sizes, facilitated the behavior of Mn redox couples as surface species readily interconverted. Exhibiting catalytic performances comparable to precious metals based catalysts, this work proposes the Ni/YMn0.5Al0.5O3 catalyst as an effective system for the CO2 methanation reaction.}, language = {en} } @misc{GonzalezCastanoBaenaMorenoNavarrodeMigueletal., author = {Gonz{\´a}lez-Casta{\~n}o, Miriam and Baena-Moreno, Francisco Manuel and Navarro de Miguel, Juan Carlos and Miah, Kamal Uddin Mohammad and Arroyo-Torralvo, F{\´a}tima and Ossenbrink, Ralf and Odriozola, Jos{\´e} Antonio and Benzinger, Walther and Hensel, Andreas and Wenka, Achim and Arellano-Garc{\´i}a, Harvey}, title = {3D-printed structured catalysts for CO2 methanation reaction: Advancing of gyroid-based geometries}, series = {Energy Conversion and Management}, volume = {258}, journal = {Energy Conversion and Management}, issn = {2590-1745}, doi = {10.1016/j.enconman.2022.115464}, pages = {8}, abstract = {This work investigates the CO2 methanation rate of structured catalysts by tuning the geometry of 3D-printed metal Fluid Guiding Elements (FGEs) structures based on periodically variable pseudo-gyroid geometries. The enhanced performance showed by the structured catalytic systems is mostly associated with the capability of the FGEs substrate geometries for efficient heat usages. Thus, variations on the channels diameter resulted in ca. 25\% greater CO2 conversions values at intermediate temperature ranges. The highest void fraction evidenced in the best performing catalyst (3D-1) favored the radial heat transfer and resulted in significantly enhanced catalytic activity, achieving close to equilibrium (75\%) conversions at 400 ◦C and 120 mL/min. For the 3D-1 catalyst, a mathematical model based on an experimental design was developed thus enabling the estimation of its behavior as a function of temperature, spatial velocity, hydrogen to carbon dioxide (H2/CO2) ratio, and inlet CO2 concentration. Its optimal operating conditions were established under 3 different scenarios: 1) no restrictions, 2) minimum H2:CO2 ratios, and 3) minimum temperatures and H2/CO2 ratio. For instance, for the lattest scenario, the best CO2 methanation conditions require operating at 431 ◦C, 200 mL/min, H2/CO2 = 3 M ratio, and inlet CO2 concentration = 10 \%.}, language = {en} } @misc{MedinaMendezGonzalezCastanoBaenaMorenoetal., author = {Medina M{\´e}ndez, Juan Ali and Gonz{\´a}lez-Casta{\~n}o, Miriam and Baena-Moreno, Francisco Manuel and Arellano-Garc{\´i}a, Harvey}, title = {CO2 methanation: on the modeling of reacting laminar flows in structured Ni/MgAl2O4 catalysts}, series = {XXV Fluid Mechanics Conference, Rzesz{\´o}w, Poland, 7-9 September 2022, Book of Abstracts}, journal = {XXV Fluid Mechanics Conference, Rzesz{\´o}w, Poland, 7-9 September 2022, Book of Abstracts}, editor = {Kmiotek, M. and Kordos, A.}, publisher = {Publishing House of Rzesz{\´o}w University of Technology}, address = {Rzesz{\´o}w, Poland}, isbn = {978-83-7934-590-8}, pages = {98 -- 100}, language = {en} } @misc{MedinaMendezGonzalezCastanoBaenaMorenoetal., author = {Medina M{\´e}ndez, Juan Ali and Gonz{\´a}lez-Casta{\~n}o, Miriam and Baena-Moreno, Francisco Manuel and Arellano-Garc{\´i}a, Harvey}, title = {CO2 methanation: on the modeling of reacting laminar flows in structured Ni/MgAl2O4 catalysts}, series = {Journal of Physics: Conference Series}, journal = {Journal of Physics: Conference Series}, number = {2367}, publisher = {IOP Publishing}, doi = {10.1088/1742-6596/2367/1/012015}, pages = {8}, language = {en} } @misc{MappasVassiliadisDorneanuetal., author = {Mappas, Vassileios and Vassiliadis, Vassilios S. and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Maintenance scheduling optimisation of Reverse Osmosis Networks (RONs) via a multistage Optimal Control reformulation}, series = {Desalination}, volume = {543}, journal = {Desalination}, issn = {1873-4464}, doi = {10.1016/j.desal.2022.116105}, abstract = {State-of-the-art approaches for membrane cleaning scheduling have focused on the Mixed-Integer Nonlinear Programming (MINLP) formulation so far, a strategy leading to a combinatorial problem that does not capture accurately the dynamic behaviour of the system. In this work, the Reverse Osmosis (RO) cleaning scheduling problem is solved using a novel approach based on the Multistage Integer Nonlinear Optimal Control Problem (MSINOCP) formulation. The approach produces an automated solution for the membrane cleaning scheduling, which also obviates the need for any form of combinatorial optimisation. Two different simulations, for 26 and 52 periods of operation (each period with a duration of one week), are carried out to illustrate the application of the proposed framework and the total cost is 1.17 and 2.48 10⁷ €, respectively. The RO network configuration considers 2 stages, each with 3 individual RO modules. The results show evidently that the new proposed solution framework can solve successfully this type of problems, even for large scale configurations, long time horizons and arbitrary realistic complexity of the underlying dynamic model of the RO process considered.}, language = {en} }