@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} } @misc{CamposManriqueDorneanuetal., author = {Campos, Jean C. and Manrique, Jose and Dorneanu, Bogdan and Ipanaqu{\´e}, William and Arellano-Garc{\´i}a, Harvey}, title = {A smart decision framework for the prediction of thrips incidence in organic banana crops}, series = {Ecological Modelling}, volume = {473}, journal = {Ecological Modelling}, issn = {1872-7026}, doi = {10.1016/j.ecolmodel.2022.110147}, abstract = {Various pests which diminish the quality of the fruit have a big influence on the organic banana production in the Piura region of Peru (and not only) and prevent it from being sold on the international market. In this study, a framework for facilitating the prediction of the pest incidence in organic banana crops is developed. To achieve this, a data acquisition system with smart sensors is implemented to monitor the meteorological variables that influence the growth of the pests. The proposed framework is utilised for the assessment of various mathematical representations of the pest incidence. These models are adapted from population growth functions and built in such way as to predict the behaviour of the insects at non-regular time intervals. A hybrid approach, combining mechanistic and data-based methods is utilised for the development of the models. Both linear and nonlinear dynamic relationships with the temperature are assumed. The results show that nonlinear model representations have greater accuracy (a fit index of more than 70\%), which provides a basis for improving pest management actions on the organic banana farms.}, language = {en} } @misc{DorneanuZhangRuanetal., author = {Dorneanu, Bogdan and Zhang, Sushen and Ruan, Hang and Heshmat, Mohamed and Chen, Ruijuan and Vassiliadis, Vassilios S. and Arellano-Garc{\´i}a, Harvey}, title = {Big data and machine learning: A roadmap towards smart plants}, series = {Frontiers of Engineering Management}, volume = {9}, journal = {Frontiers of Engineering Management}, doi = {10.1007/s42524-022-0218-0}, pages = {623 -- 639}, abstract = {Industry 4.0 aims to transform chemical and biochemical processes into intelligent systems via the integration of digital components with the actual physical units involved. This process can be thought of as the addition of a central nervous system with a sensing and control monitoring of components and regulating the performance of the individual physical assets (processes, units, etc.) involved. Established technologies central to the digital integrating components are smart sensing, mobile communication, Internet of Things, modelling and simulation, advanced data processing, storage and analysis, advanced process control, artificial intelligence and machine learning, cloud computing, and virtual and augmented reality. An essential element to this transformation is the exploitation of large amounts of historical process data and large volumes of data generated in real-time by smart sensors widely used in industry. Exploitation of the information contained in these data requires the use of advanced machine learning and artificial intelligence technologies integrated with more traditional modelling techniques. The purpose of this paper is twofold: a) to present the state-of-the-art of the aforementioned technologies, and b) to present a strategic plan for their integration toward the goal of an autonomous smart plant capable of self-adaption and self-regulation for short- and long-term production management.}, language = {en} } @misc{DorneanuHeshmatMohamedetal., author = {Dorneanu, Bogdan and Heshmat, Mohamed and Mohamed, Abdelrahim and Arellano-Garc{\´i}a, Harvey}, title = {Monitoring of smart chemical processes: A Sixth Sense approach}, series = {Computer Aided Chemical Engineering}, volume = {49}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-85159-6.50226-8}, pages = {1357 -- 1362}, abstract = {This paper introduces the development of an intelligent monitoring and control framework for chemical processes, integrating the advantages of technologies such as Industry 4.0, cooperative control or fault detection via wireless sensor networks. The system described is able to detect faults using information on the process' structure and behaviour, information on the equipment and expert knowledge. Its integration with the monitoring system facilitates the detection and optimisation of controller actions. The results indicate that the proposed approach achieves high fault detection accuracy based on plant measurements, while the cooperative controller improves the operation of the process.}, language = {en} } @misc{YentumiDorneanuArellanoGarcia, author = {Yentumi, Richard and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Mathematical modelling, simulation and optimisation of an indirect water bath heater at the Takoradi distribution station (TDS)}, series = {Computer Aided Chemical Engineering}, volume = {49}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-85159-6.50163-9}, pages = {979 -- 984}, abstract = {In this contribution, a dynamic first principles model of an existing 3.01 MW natural gas fired water bath heater (WBH) in operation at the Takoradi Distribution Station (TDS) in Ghana is developed primarily to predict the outlet temperature of the natural gas stream being heated. The model is intended to be applied during operations to provide useful data to optimise material and energy consumption, as well as minimise CO2 emissions. Due to the low thermal efficiencies of WBHs, even small improvements in efficiency can result in significant savings. The firetube and process coils are both modelled as onedimensional (1D) thin-walled tubes and the entire model incorporates mass and energy conservation equations, heat transfer rate relations and rigorous thermodynamic p-V-T relations. In contrast to what commonly exists in literature, this model accurately estimates the enthalpy change of the natural gas stream being heated by accounting for its enthalpy departure correction term due to pressure, in addition to the ideal gas heat capacity relation which is a function of only temperature. The coupled ordinary differential and algebraic equations are implemented using gPROMS® ModelBuilder® V4.2.0, a commercial modelling and simulation software. Verification of the model results showed good agreement between the model predictions and actual on field measurements. With excess air at 15\%, the simulation results closely approximate measured data with an absolute error of about 0.31 \%. More importantly, the results show that significant savings of up to 30\% per annum can be made through optimal operation of the water bath heater.}, language = {en} } @misc{DorneanuVassiliadisArellanoGarcia, author = {Dorneanu, Bogdan and Vassiliadis, Vassilios S. and Arellano-Garc{\´i}a, Harvey}, title = {Maintenance scheduling optimization for decaying performance nonlinear dynamic processes}, series = {Computer Aided Chemical Engineering}, volume = {49}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-85159-6.50084-1}, pages = {505 -- 510}, abstract = {A first contribution of this paper is an overview of the research efforts and contributions over several decades in the area of scheduling maintenance optimization for decaying performance dynamic processes. Following breakthrough ideas and implementation in the area of heat exchanger networks for optimal scheduling of cleaning actions subject to exchanger surface fouling, these concepts were transferred successfully to the area of scheduling catalyst replacement actions in catalytic reactor networks. This necessary overview leads to the main, second contribution aimed with this work: its application to restorative maintenance scheduling in the area of RON regeneration actions planning, as well as point to new areas where this approach can be fruitfully applied to and extended into in the near future - particularly enhancing model descriptions that include general types of planning uncertainty. The effectiveness and efficacy of the approach is demonstrated computationally in this work.}, language = {en} } @misc{SebastiaSaezHernandezArellanoGarciaetal., author = {Sebastia-Saez, Daniel and Hernandez, Leonor and Arellano-Garc{\´i}a, Harvey and Enrique Julia, Jose}, title = {Numerical and experimental characterization of the hydrodynamics and drying kinetics of a barbotine slurry spray}, series = {Chemical Engineering Science}, volume = {195}, journal = {Chemical Engineering Science}, issn = {1873-4405}, doi = {10.1016/j.ces.2018.11.040}, pages = {83 -- 94}, abstract = {Spray drying is a basic unit operation in several process industries such as food, pharmaceutical, ceramic, and others. In this work, a Eulerian-Lagrangian three-phase simulation is presented to study the drying process of barbotine slurry droplets for the production of ceramic tiles. To this end, the simulated velocity field produced by a spray nozzle located at the Institute of Ceramic Technology in Castell{\´o} (Spain) is benchmarked against measurements obtained by means of laser Doppler anemometry in order to validate the numerical model. Also, the droplet size distribution generated by the nozzle is obtained at operating conditions by means of laser diffraction and the data obtained are compared qualitatively to those found in the literature. The characteristic Rosin-Rammler droplet size from the distribution is introduced thereafter in the three-phase simulation to analyse the drying kinetics of individual droplets. The model predicts the theoretical linear evolution of the square diameter (D²-law), and the temperature and mass exchange with the environment. The proposed model is intended to support the design and optimization of industrial spray dryers.}, language = {en} } @misc{FosterSebastiaSaezArellanoGarcia, author = {Foster, Niall and Sebastia-Saez, Daniel and Arellano-Garc{\´i}a, Harvey}, title = {Fractal branch-like fractal shell-and-tube heat exchangers: A CFD study of the shell side performance}, series = {IFAC-PapersOnLine}, volume = {52}, journal = {IFAC-PapersOnLine}, number = {1}, issn = {2405-8963}, doi = {10.1016/j.ifacol.2019.06.044}, pages = {100 -- 105}, abstract = {Nature has provided some of the most ingenious and elegant solutions to complex problems over millions of years of refining through evolution. The adaptation of Nature´s solutions to engineering problems is a recent trend which has opened opportunities for improvement in many areas ranging from Architecture to Chemical Engineering. In particular, the use of fractal geometries on heat exchangers is a recent design trend. Recent investigations highlight the benefit of implementing fractal-based geometries on the tube side of shell and tube heat exchangers. A complete evaluation of such devices by assessing the performance of the shell side has not been undertaken, though. Here, we present a systematic numerical assessment of the shell side of a tree-like shaped heat exchanger. Key performance parameters, i.e. temperature change, pressure drop and coefficient of performance, are obtained and compared to those of a straight tube, in order to fully understand the potential of the application of fractal-based shapes to the design of heat exchangers.}, language = {en} } @misc{DorneanuMashamMechlerietal., author = {Dorneanu, Bogdan and Masham, Elliot and Mechleri, Evgenia and Arellano-Garc{\´i}a, Harvey}, title = {Centralised versus localised supply chain management using a flow configuration model}, series = {Computer Aided Chemical Engineering}, volume = {46}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-818634-3.50231-9}, pages = {1381 -- 1386}, abstract = {Traditional food supply chains are often centralised and global in nature. Moreover they require a large amount of resource which is an issue in a time with increasing need for more sustainable food supply chains. A solution is to use localised food supply chains, an option theorised to be more sustainable, yet not proven. Therefore, this paper compares the two systems to investigate which one is more environmentally friendly, cost efficient and resilient to disruption risks. This comparison between the two types of supply chains, is performed using MILP models for an ice cream supply chain for the whole of England over the period of a year. The results obtained from the models show that the localised model performs best environmentally and economically, whilst the traditional, centralised supply chain performs best for resilience.}, language = {en} } @misc{YentumiDorneanuArellanoGarcia, author = {Yentumi, Richard and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Modelling and optimal operation of a natural gas fired natural draft heater}, series = {Computer Aided Chemical Engineering}, volume = {46}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-818634-3.50165-X}, pages = {985 -- 990}, abstract = {Current industrial trends promote reduction of material and energy consumption of fossil fuel burning, and energy-intensive process equipment. It is estimated that approximately 75\% of the energy consumption in hydrocarbon processing facilities is used by such equipment as fired heater, hence even small improvements in the energy conservation may lead to significant savings [1, 2]. In this work, a mathematical modelling and optimisation study is undertaken using gPROMS® ProcessBuilder® to determine the optimal operating conditions of an existing API 560 Type-E vertical-cylindrical type natural draft fired heater, in operation at the Atuabo Gas Processing Plant (GPP), in the Western Region of Ghana. It is demonstrated that the optimisation results in significant reduction of fuel gas consumption and operational costs.}, language = {en} } @misc{AlHmoudSebastiaSaezArellanoGarcia, author = {Al-Hmoud, Aya and Sebastia-Saez, Daniel and Arellano-Garc{\´i}a, Harvey}, title = {Comparative CFD analysis of thermal energy storage materials in photovoltaic/thermal panels}, series = {Computer Aided Chemical Engineering}, volume = {46}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-818634-3.50133-8}, pages = {793 -- 798}, abstract = {Photovoltaic/thermal systems are a novel renewable energy approach to transform incident radiation into electricity and simultaneously store the excess thermal energy produced. Both sensible and latent heat storage materials have been investigated in the past for thermal storage; with desert sand having been recently considered as an efficient and inexpensive alternative. In this work, we use a transient Computational Fluid Dynamics simulation to compare the performance of desert sand to that of well-established phase-change materials used in photovoltaic/thermal systems. The simulation gives as a result the temperature profiles within the device as well as the time evolution of the charge/discharge cycles when using PCMs. The results show the suitability of desert sand as a thermal storage material to be used in photovoltaic/thermal systems.}, language = {en} } @misc{MechleriSidnellDorneanuetal., author = {Mechleri, Evgenia and Sidnell, Tim and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Optimisation and control of a distributed energy resource network using Internet-of-Things technologies}, series = {Computer Aided Chemical Engineering}, volume = {46}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-818634-3.50014-X}, pages = {79 -- 84}, abstract = {This work investigates the use of variable pricing to control electricity imported and exported to and from both fixed and unfixed distributed energy resource network designs within the UK residential sector. It was proven that networks which utilise much of their own energy and import little from the national grid are barely affected by variable import pricing, but are encouraged to export more energy to the grid by dynamic export pricing. Dynamic import and export pricing increased CO2 emissions due to feed-in tariffs which encourages CHP generation over lower-carbon technologies such as solar panels or wind turbines.}, language = {en} } @misc{ArellanoGarciaDorneanuMechleri, author = {Arellano-Garc{\´i}a, Harvey and Dorneanu, Bogdan and Mechleri, Evgenia}, title = {Devicification of Food Process Engineering}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2019}, journal = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, doi = {10.1016/B978-0-12-409547-2.14426-9}, abstract = {Food and beverages industry is facing major challenges in the years to come, as the world population is expected to grow, accompanied by a growing need for energy, feed and fuel. Much of the processing in the food industry is performed in small-scale decentralized plants, with relatively few possibilities of energy recovery. Innovation in areas such as process and product modeling, process intensification and process control enable the development of new manufacturing pathways, more efficient, versatile, selective and sustainable. Furthermore, the addition of Internet of Things elements and the way they connect to the physical process will ensure continuous communication between the various actors of the food value chain. This will enable the design of new compact, scalable, flexible, modular, and automated production equipment that will offer food manufacturers the ability to respond rapidly, economically, accurately and flexibly to the consumer demands.}, language = {en} } @book{OdriozolaRamirezReinaArellanoGarcia, author = {Odriozola, Jos{\´e} Antonio and Ramirez Reina, Tomas and Arellano-Garc{\´i}a, Harvey}, title = {Engineering Solutions for CO2 Conversion}, publisher = {Wiley-VCH}, address = {Berlin ; Boston}, isbn = {978-3-527-34639-4}, pages = {496}, abstract = {A comprehensive guide that offers a review of the current technologies that tackle CO2 emissionsThe race to reduce CO2 emissions continues to be an urgent global challenge. "Engineering Solutions for CO2 Conversion" offers a thorough guide to the most current technologies designed to mitigate CO2 emissions ranging from CO2 capture to CO2 utilization approaches....}, language = {en} } @misc{ArellanoGarciaIfeSanduketal., author = {Arellano-Garc{\´i}a, Harvey and Ife, Maximilian R. and Sanduk, Mohammed and Sebastia-Saez, Daniel}, title = {Hydrogen production via load-matched coupled solar-proton exchange membrane electrolysis using aqueous methanol}, series = {Chemical engineering \& technology}, volume = {42}, journal = {Chemical engineering \& technology}, number = {11}, issn = {1521-4125}, doi = {10.1002/ceat.201900285}, pages = {2340 -- 2347}, abstract = {This study investigates hydrogen production via a directly coupled solar-PEM electrolysis system using aqueous methanol instead of water. The effect of load matching and methanol concentration on hydrogen production rates, electrolysis efficiency, and solar-hydrogen efficiency was investigated. The electrolysis efficiencies were subsequently used in simulation studies to estimate production costs in scaled up systems. The results show that the added hydrogen production associated with the methanol solutions leads to favourable hydrogen production costs at smaller scales.}, language = {en} } @misc{SebastiaSaezRamirezReinaSilvaetal., author = {Sebastia-Saez, Daniel and Ramirez Reina, Tomas and Silva, Ravi and Arellano-Garc{\´i}a, Harvey}, title = {Synthesis and characterisation of n-octacosane@silica nanocapsules for thermal storage applications}, series = {International Journal of Energy Research}, volume = {44}, journal = {International Journal of Energy Research}, number = {3}, issn = {1099-114X}, doi = {10.1002/er.5039}, pages = {2306 -- 2315}, abstract = {This work reports the synthesis and characterisation of a core-shell n-octacosane@silica nanoencapsulated phase-change material obtained via interfacial hydrolysis and polycondensation of tetraethyl orthosilicate in miniemulsion. Silica has been used as the encapsulating material because of its thermal advantages relative to synthesised polymers. The material presents excellent heat storage potential, with a measured melting latent heat varying between 57.1 and 89.0 kJ kg-1 (melting point between 58.2°C and 59.9°C) and a small particle size (between 565 and 227 nm). Degradation of the n-octacosane core starts between 150°C and 180°C. Also, the use of silica as shell material gives way to a heat conductivity of 0.796 W m-1 K-1 (greater than that of nanoencapsulated materials with polymeric shell). Charge/discharge cycles have been successfully simulated at low pressure to prove the suitability of the nanopowder as phase-change material. Further research will be carried out in the future regarding the use of the synthesised material in thermal applications involving nanofluids.}, language = {en} } @misc{GehringDorneanuManriqueSilupuetal., author = {Gehring, Nicole and Dorneanu, Bogdan and Manrique-Silup{\´u}, Jos{\´e} and Ipanaqu{\´e}, William and Arellano-Garc{\´i}a, Harvey}, title = {Circular Economy in Banana Cultivation}, series = {Computer Aided Chemical Engineering}, volume = {48}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-823377-1.50262-7}, pages = {1567 -- 1572}, abstract = {This paper examines the most important approaches that could be applied for the introduction of circular economy strategies for the banana production process in the region of Piura (Peru). Based on this, a framework for an optimized economic cycle that is able to conserve resources and minimize the capital investments of farmers, while simultaneously increasing their production, can be created. Challenges and potential solutions are discussed for the production stages.}, language = {en} } @misc{HamdanSebastiaSaezHamdanetal., author = {Hamdan, Mustapha and Sebastia-Saez, Daniel and Hamdan, Malak and Arellano-Garc{\´i}a, Harvey}, title = {CFD Analysis of the Use of Desert Sand as Thermal Energy Storage Medium in a Solar Powered Fluidised Bed Harvesting Unit}, series = {Computer Aided Chemical Engineering}, volume = {48}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-823377-1.50059-8}, pages = {349 -- 354}, abstract = {This work presents an Euler-Euler hydrodynamic and heat transfer numerical analysis of the multiphase flow involving desert sand and a continuous gas phase in a compact-size fluidised bed. The latter is part of a novel conceptual solar power design intended for domestic use. Desert sand is a highly available and unused resource with suitable thermal properties to be employed as thermal energy storage medium. It also allows for high working temperatures owing to its high resistance to agglomeration. Computational Fluid Dynamics simulations are used here to assess the heat transfer between desert sand and several proposed working fluids (including air, argon, nitrogen and carbon dioxide) to justify the design in terms of equipment dimensions and suitability of the materials used. The results show that the device can provide up to 1,031 kW when using carbon dioxide as the heat transfer fluid.}, language = {en} } @misc{MenzhausenMerinoDorneanuetal., author = {Menzhausen, Robert and Merino, Manuel and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {A Fuzzy Control Approach for an Industrial Refrigeration System}, series = {Computer Aided Chemical Engineering}, volume = {48}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-12-823377-1.50210-X}, pages = {1255 -- 1260}, abstract = {This contribution presents the development of a model for the refrigeration plant used for mangos, which is able to simulate both the chamber and the fruit temperatures. The model is developed from energy balances for each section of the refrigeration system and the fruits, and is the basis for the setup of a fuzzy controller, capable of regulating continuously the compressor's frequency to achieve the desired temperature. The model is able to accurately predict the chamber temperature profiles, but is more sensitive when simulating the fruit temperature. The fuzzy controller is able to achieve the set-point more accurately and in a shorter time than the on/off control, achieving a decrease in energy consumption as well.}, language = {en} } @misc{ArellanoGarciaBarzDorneanuetal., author = {Arellano-Garc{\´i}a, Harvey and Barz, Tilman and Dorneanu, Bogdan and Vassiliadis, Vassilios S.}, title = {Real-time feasibility of nonlinear model predictive control for semi-batch reactors subject to uncertainty and disturbances}, series = {Computers \& Chemical Engineering}, volume = {133}, journal = {Computers \& Chemical Engineering}, issn = {1873-4375}, doi = {10.1016/j.compchemeng.2019.106529}, abstract = {This paper presents two nonlinear model predictive control based methods for solving closed-loop stochastic dynamic optimisation problems, ensuring both robustness and feasibility with respect to state output constraints. The first one is a new deterministic approach, using the wait-and-see strategy. The key idea is to specifically anticipate violation of output hard-constraints, which are strongly affected by instantaneous disturbances, by backing off of their bounds along the moving horizon. The second method is a stochastic approach to solve nonlinear chance-constrained dynamic optimisation problems under uncertainties. The key aspect is the explicit consideration of the stochastic properties of both exogenous and endogenous uncertainties in the problem formulation (here-and-now strategy). The approach considers a nonlinear relation between uncertain inputs and the constrained state outputs. The performance of the proposed methodologies is assessed via an application to a semi-batch reactor under safety constraints, involving strongly exothermic reactions.}, language = {en} } @misc{MohamedRuanHeshmatHassanAbdelwahabetal., author = {Mohamed, Abdelrahim and Ruan, Hang and Heshmat Hassan Abdelwahab, Mohamed and Dorneanu, Bogdan and Xiao, Pei and Arellano-Garc{\´i}a, Harvey and Gao, Yang and Tafazolli, Rahim}, title = {An Inter-Disciplinary Modelling Approach in Industrial 5G/6G and Machine Learning Era}, series = {2020 IEEE International Conference on Communications Workshops (ICC Workshops)}, journal = {2020 IEEE International Conference on Communications Workshops (ICC Workshops)}, address = {Dublin, Ireland}, isbn = {978-1-7281-7440-2}, issn = {2474-9133}, doi = {10.1109/ICCWorkshops49005.2020.9145434}, pages = {1 -- 6}, abstract = {Recently, the fifth-generation (5G) cellular system has been standardised. As opposed to legacy cellular systems geared towards broadband services, the 5G system identifies key use cases for ultra-reliable and low latency communications (URLLC) and massive machine-type communications (mMTC). These intrinsic 5G capabilities enable promising sensor-based vertical applications and services such as industrial process automation. The latter includes autonomous fault detection and prediction, optimised operations and proactive control. Such applications enable equipping industrial plants with a sixth sense (6S) for optimised operations and fault avoidance. In this direction, we introduce an inter-disciplinary approach integrating wireless sensor networks with machine learning-enabled industrial plants to build a step towards developing this 6S technology. We develop a modular-based system that can be adapted to the vertical-specific elements. Without loss of generalisation, exemplary use cases are developed and presented including a fault detection/prediction scheme, and a sensor density-based boundary between orthogonal and non-orthogonal transmissions. The proposed schemes and modelling approach are implemented in a real chemical plant for testing purposes, and a high fault detection and prediction accuracy is achieved coupled with optimised sensor density analysis.}, language = {en} } @misc{StephensonCarvalhoElleroSebastiaSaezetal., author = {Stephenson, Ted and Carvalho Ellero, Caio and Sebastia-Saez, Daniel and Klymenko, Oleksiy and Battley, Angela Maria and Arellano-Garc{\´i}a, Harvey}, title = {Numerical modelling of the interaction between eccrine sweat and textile fabric for the development of smart clothing}, series = {International Journal of Clothing Science and Technology}, volume = {32}, journal = {International Journal of Clothing Science and Technology}, number = {5}, issn = {0955-6222}, doi = {10.1108/IJCST-07-2019-0100}, pages = {761 -- 774}, abstract = {Purpose Live non-invasive monitoring of biomarkers is of great importance for the medical community. Moreover, some studies suggest that there is a substantial business gap in the development of mass-production commercial sweat-analysing wearables with great revenue potential. The objective of this work is to quantify the concentration of biomarkers that reaches the area of the garment where a sensor is positioned to advance the development of commercial sweat-analysing garments. Design/methodology/approach Computational analysis of the microfluidic transport of biomarkers within eccrine sweat glands provides a powerful way to explore the potential for quantitative measurements of biomarkers that can be related to the health and/or the physical activity parameters of an individual. The numerical modelling of sweat glands and the interaction of sweat with a textile layer remain however rather unexplored. This work presents a simulation of the production of sweat in the eccrine gland, reabsorption from the dermal duct into the surrounding skin and diffusion within an overlying garment. Findings The model represents satisfactorily the relationship between the biomarker concentration and the flow rate of sweat. The biomarker distribution across an overlying garment has also been calculated and subsequently compared to the minimum amount detectable by a sensor previously reported in the literature. The model can thus be utilized to check whether or not a given sensor can detect the minimum biomarker concentration threshold accumulated on a particular type of garment. Originality/value The present work presents to the best of our knowledge, the earliest numerical models of the sweat gland carried out so far. The model describes the flow of human sweat along the sweat duct and on to an overlying piece of garment. The model considers complex phenomena, such as reabsorption of sweat into the skin layers surrounding the duct, and the structure of the fibres composing the garment. Biomarker concentration maps are obtained to check whether sensors can detect the threshold concentration that triggers an electric signal. This model finds application in the development of smart textiles.}, language = {en} } @misc{BaenaMorenoCidCastilloArellanoGarciaetal., author = {Baena-Moreno, Francisco Manuel and Cid-Castillo, N. and Arellano-Garc{\´i}a, Harvey and Ramirez Reina, Tomas}, title = {Towards emission free steel manufacturing - Exploring the advantages of a CO2 methanation unit to minimize CO2 emissions}, series = {Science of The Total Environment}, volume = {781}, journal = {Science of The Total Environment}, issn = {1879-1026}, doi = {10.1016/j.scitotenv.2021.146776}, abstract = {This paper demonstrates the benefits of incorporating CO2 utilisation through methanation in the steel industry. This approach allows to produce synthetic methane, which can be recycled back into the steel manufacturing process as fuel and hence saving the consumption of natural gas. To this end, we propose a combined steel-making and CO2 utilisation prototype whose key units (shaft furnace, reformer and methanation unit) have been modelled in Aspen Plus V8.8. Particularly, the results showed an optimal performance of the shaft furnace at 800°C and 6 bar, as well as 1050°C and atmospheric pressure for the reformer unit. Optimal results for the methanation reactor were observed at 350°C. Under these optimal conditions, 97.8\% of the total CO2 emissions could be mitigated from a simplified steel manufacturing scenario and 89.4\% of the natural gas used in the process could be saved. A light economic approach is also presented, revealing that the process could be profitable with future technologic developments, natural gas prices and forthcoming increases of CO2 emissions taxes. Indeed, the cash-flow can be profitable (325 k€) under the future costs: methanation operational cost at 0.105 €/Nm³; electrolysis operational cost at 0.04 €kWh, natural gas price at 32 €/MWh; and CO2 penalty at 55€/MWh. Hence this strategy is not only environmentally advantageous but also economically appealing and could represent an interesting route to contribute towards steel-making decarbonisation.}, language = {en} } @misc{MechleriDorneanuArellanoGarcia, author = {Mechleri, Evgenia and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {A Model Predictive Control-Based Decision-Making Strategy for Residential Microgrids}, series = {Eng}, volume = {3}, journal = {Eng}, number = {1}, issn = {2673-4117}, doi = {10.3390/eng3010009}, pages = {100 -- 115}, abstract = {This work presents the development of a decision-making strategy for fulfilling the power and heat demands of small residential neighborhoods. The decision on the optimal operation of a microgrid is based on the model predictive control (MPC) rolling horizon. In the design of the residential microgrid, the new approach different technologies, such as photovoltaic (PV) arrays, micro-combined heat and power (micro-CHP) units, conventional boilers and heat and electricity storage tanks are considered. Moreover, electricity transfer between the microgrid components and the national grid are possible. The MPC problem is formulated as a mixed integer linear programming (MILP) model. The proposed novel approach is applied to two case studies: one without electricity storage, and one integrated microgrid with electricity storage. The results show the benefits of considering the integrated microgrid, as well as the advantage of including electricity storage.}, language = {en} } @misc{JurischkaDorneanuStollbergetal., author = {Jurischka, Constantin and Dorneanu, Bogdan and Stollberg, Christian and Arellano-Garc{\´i}a, Harvey}, title = {A novel approach to continuous extraction of active ingredients from essential oils through combined chromatography}, series = {Computer Aided Chemical Engineering}, volume = {51}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-95879-0.50129-6}, pages = {769 -- 774}, abstract = {This contribution introduces a combined liquid chromatography purification designed for a continuous and resource-efficient process, integrating the rotating columns and the simulated bed principles. The approach is demonstrated and validated based on bisabolol oxides A and B, which are effective ingredients with anti-inflammatory and spasmolytic effects, prepared from chamomile essential oil. The results show superior efficiency to the traditional selective methods for isolating ingredients from multicomponent mixtures, as well as reduction in resources and costs.}, language = {en} } @misc{EstradaManriqueSilupuIpanaqueetal., author = {Estrada, Carlos A. and Manrique-Silup{\´u}, Jos{\´e} and Ipanaqu{\´e}, William and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {A model-based approach for the prediction of banana rust thrips incidence from atmospheric variables}, series = {Computer Aided Chemical Engineering}, volume = {51}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-95879-0.50085-0}, pages = {505 -- 510}, abstract = {This work focuses on the development of a mathematical model for the population growth of banana red rust thrips (Chaetanaphothrips signipennis) based on a modified temperature-based growth rate with the addition of climatic variables, such as relative humidity, wind speed and rainfall rate. The aim is to enable better prediction of the pest incidence and improve decision making, productivity, as well as quantifying the influence of these variables on the development of red rust thrips. The developed model is then compared with current solutions for predicting the pest incidence, showing improved accuracy (higher than 67\%) versus experimental data, for which the state-of-the-art models indicate extremely poor fits.}, language = {en} } @misc{AmaoDorneanuArellanoGarcia, author = {Amao, Khalid and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Economic Analysis of Novel Pathways for Recovery of Lithium Battery Waste}, series = {Computer Aided Chemical Engineering}, volume = {51}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-95879-0.50271-X}, pages = {1621 -- 1626}, abstract = {Using the Umicore process, a current state-of-the-art recycling in the metal recovery industry for lithium battery waste, as a baseline, this contribution examines economic and environmentally friendly solutions for effective metal recovery from spent LIBs. At the same time, possible synergies between existing resource use from other manufacturing and waste treatment industries are considered as valuable input to metal recycling, while also reducing the amount of atmospheric carbon. This further presents a case for possible integration of various waste management approaches as a single business unit for economic incentive and profitability for possible investment.}, language = {en} } @misc{DorneanuHeinzelmannSchnitzleinetal., author = {Dorneanu, Bogdan and Heinzelmann, Norbert and Schnitzlein, Klaus and Arellano-Garc{\´i}a, Harvey}, title = {A novel approach to modelling trickle bed reactors}, series = {Computer Aided Chemical Engineering}, volume = {51}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-95879-0.50047-3}, pages = {277 -- 282}, abstract = {In this contribution, the development of a toolbox for the simulation of trickle bed reactors based on a model able to account for the local properties of the liquid and gas flow in a packed bed at particle scale is introduced. The implementation uses a modular and flexible setup, with local liquid distribution considered as a function of the operating conditions and the physical properties of the three phases. Moreover, the impact of the local incomplete wetting on the conversion, as well as the mass transport and kinetics at both particle and reactor scale are accounted for. Furthermore, different particle geometries are considered, and the model is able to reliably predict the performance of the catalytic trickle bed reactors.}, language = {en} } @misc{CamposManriqueSilupuIpanaqueetal., author = {Campos, Jean C. and Manrique-Silup{\´u}, Jos{\´e} and Ipanaqu{\´e}, William and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Mechanistic modelling for thrips incidence in organic banana}, series = {Computer Aided Chemical Engineering}, volume = {51}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-95879-0.50046-1}, pages = {271 -- 276}, abstract = {This contribution introduces a data acquisition and modelling framework for the prediction of banana pests' incidence. An IoT sensors-based system collects weather and micro-climate variables, such as temperature, relative humidity, and wind speed, which are uploaded in real time to a cloud storage space. The incidence of the red rust thrips (Chaetanaphothrips signipennis) is collected "manually" by periodic inspection. The mathematical model is adapted from population growth functions and a model of insect species development and allows predictions to be made at various time intervals with an accuracy greater than 80\%, improving decision-making capacity for agro-producers and enabling the improvement of pest management actions.}, language = {en} } @misc{KetabchiRamirezReinaDorneanuetal., author = {Ketabchi, Elham and Ramirez Reina, Tomas and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {An identification approach to a reaction network for an ABE catalytic upgrade}, series = {Computer Aided Chemical Engineering}, volume = {50}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-323-88506-5.50102-9}, pages = {643 -- 648}, abstract = {This contribution presents a kinetic study for the identification of the complex reaction mechanism occurring during the ABE upgrading, and the development of a kinetic model. Employing graph theory analysis, a directed bipartite graph is constructed to reduce the complexity of the reaction network, and the reaction rate constants and reaction orders are calculated using the initial rate method, followed by the calculation of the activation energy and frequency factor for an Arrhenius-type law. Subsequently, using general mass balancing a proposed mathematical model is produced to determine the apparent reaction rates, which are successfully in line with the experimental results.}, language = {en} } @misc{ClarkeDorneanuMechlerietal., author = {Clarke, Fiona and Dorneanu, Bogdan and Mechleri, Evgenia and Arellano-Garc{\´i}a, Harvey}, title = {Optimal design of heating and cooling pipeline networks for residential distributed energy resource systems}, series = {Energy}, volume = {235}, journal = {Energy}, issn = {1873-6785}, doi = {10.1016/j.energy.2021.121430}, abstract = {This paper presents a mixed integer linear programming model for the optimal design of a distributed energy resource (DER) system that meets electricity, heating, cooling and domestic hot water demands of a neighbourhood. The objective is the optimal selection of the system components among different technologies, as well as the optimal design of the heat pipeline network to allow heat exchange between different nodes in the neighbourhood. More specifically, this work focuses on the design, interaction and operation of the pipeline network, assuming the operation and maintenance costs. Furthermore, thermal and cold storage, transfer of thermal energy, and pipelines for transfer of cold and hot water to meet domestic hot water demands are additions to previously published models. The application of the final model is investigated for a case-study of a neighbourhood of five houses located in the UK. The scalability of the model is tested by also applying the model to a neighbourhood of ten and twenty houses, respectively. Enabling exchange of thermal power between the neighbours, including for storage purposes, and using separate hot and cold pipeline networks reduces the cost and the environmental impact of the resulting DER.}, language = {en} }