Articles Published in International Peer-Reviewed Journals
3482022
Journal Articles
Alvira, Darío; Antorán, Daniel; Manyà, Joan Josep
Plant-derived hard carbon as anode for sodium-ion batteries: A comprehensive review to guide interdisciplinary research Journal Article
In: Chemical Engineering Journal, vol. 447, pp. 137468, 2022, ISSN: 1385-8947.
@article{Alvira2022,
title = {Plant-derived hard carbon as anode for sodium-ion batteries: A comprehensive review to guide interdisciplinary research},
author = {Darío Alvira and Daniel Antorán and Joan Josep Manyà},
url = {https://linkinghub.elsevier.com/retrieve/pii/S1385894722029564},
doi = {10.1016/J.CEJ.2022.137468},
issn = {1385-8947},
year = {2022},
date = {2022-11-01},
urldate = {2022-11-01},
journal = {Chemical Engineering Journal},
volume = {447},
pages = {137468},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Marrodán, Lorena; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
An experimental and modeling study of acetylene-dimethyl ether mixtures oxidation at high-pressure Journal Article
In: Fuel, vol. 327, pp. 125143, 2022, ISSN: 0016-2361.
@article{Marrodan2022,
title = {An experimental and modeling study of acetylene-dimethyl ether mixtures oxidation at high-pressure},
author = {Lorena Marrodán and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0016236122019846},
doi = {10.1016/J.FUEL.2022.125143},
issn = {0016-2361},
year = {2022},
date = {2022-11-01},
urldate = {2022-11-01},
journal = {Fuel},
volume = {327},
pages = {125143},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Méndez, A.; Álvarez, M. L.; Fidalgo, J. M.; Stasi, Christian Di; Manyà, Joan Josep; Gascó, G.
Biomass-derived activated carbon as catalyst in the leaching of metals from a copper sulfide concentrate Journal Article
In: Minerals Engineering, vol. 183, pp. 107594, 2022, ISSN: 0892-6875.
@article{Mendez2022,
title = {Biomass-derived activated carbon as catalyst in the leaching of metals from a copper sulfide concentrate},
author = {A. Méndez and M. L. Álvarez and J. M. Fidalgo and Christian Di Stasi and Joan Josep Manyà and G. Gascó},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0892687522002047},
doi = {10.1016/J.MINENG.2022.107594},
issn = {0892-6875},
year = {2022},
date = {2022-06-01},
urldate = {2022-06-01},
journal = {Minerals Engineering},
volume = {183},
pages = {107594},
publisher = {Pergamon},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Greco, Gianluca; Canevesi, Rafael L. S.; Stasi, Christian Di; Celzard, Alain; Fierro, Vanessa; Manyà, Joan Josep
Biomass-derived carbons physically activated in one or two steps for CH4/CO2 separation Journal Article
In: Renewable Energy, vol. 191, pp. 122–133, 2022, ISSN: 0960-1481.
@article{Greco2022,
title = {Biomass-derived carbons physically activated in one or two steps for CH4/CO2 separation},
author = {Gianluca Greco and Rafael L. S. Canevesi and Christian Di Stasi and Alain Celzard and Vanessa Fierro and Joan Josep Manyà},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0960148122004967},
doi = {10.1016/J.RENENE.2022.04.035},
issn = {0960-1481},
year = {2022},
date = {2022-05-01},
urldate = {2022-05-01},
journal = {Renewable Energy},
volume = {191},
pages = {122--133},
publisher = {Pergamon},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ilarri, Sergio; Trillo-Lado, Raquel; Marrodán, Lorena
Traffic and Pollution Modelling for Air Quality Awareness: An Experience in the City of Zaragoza Journal Article
In: SN Computer Science 2022 3:4, vol. 3, no. 4, pp. 1–33, 2022, ISSN: 2661-8907.
@article{Ilarri2022,
title = {Traffic and Pollution Modelling for Air Quality Awareness: An Experience in the City of Zaragoza},
author = {Sergio Ilarri and Raquel Trillo-Lado and Lorena Marrodán},
url = {https://link.springer.com/article/10.1007/s42979-022-01105-0},
doi = {10.1007/S42979-022-01105-0},
issn = {2661-8907},
year = {2022},
date = {2022-05-01},
journal = {SN Computer Science 2022 3:4},
volume = {3},
number = {4},
pages = {1--33},
publisher = {Springer},
abstract = {Air pollution due to the presence of small particles and gases in the atmosphere is a major cause of health problems. In urban areas, where most of the population is concentrated, traffic is a major source of air pollutants (such as nitrogen oxides or $$hbox NO_x$$ and carbon monoxide or CO). Therefore, for smart cities, carrying out an adequate traffic monitoring is a key issue, since it can help citizens to make better decisions and public administrations to define appropriate policies. Thus, citizens could use these data to make appropriate mobility decisions. In the same way, a city council can exploit the collected data for traffic management and for the establishment of suitable traffic policies throughout the city, such as restricting the traffic flow in certain areas. For this purpose, a suitable modelling approach that provides the estimated/predicted values of pollutants at each location is needed. In this paper, an approach followed to model traffic flow and air pollution dispersion in the city of Zaragoza (Spain) is described. Our goal is to estimate the air quality in different areas of the city, to raise awareness and help citizens to make better decisions; for this purpose, traffic data play an important role. In more detail, the proposal presented includes a traffic modelling approach to estimate and predict the amount of traffic at each road segment and hour, by combining historical measurements of real traffic of vehicles and the use of the SUMO traffic simulator on real city roadmaps, along with the application of a trajectory generation strategy that complements the functionalities of SUMO (for example, SUMO's calibrators). Furthermore, a pollution modelling approach is also provided, to estimate the impact of traffic flows in terms of pollutants in the atmosphere: an R package called Vehicular Emissions INventories (VEIN) is used to estimate the amount of $$hbox NO_x$$ generated by the traffic flows by taking into account the vehicular fleet composition (i.e., the types of vehicles, their size and the type of fuel they use) of the studied area. Finally, considering this estimation of $$hbox NO_x$$ , a service capable of offering maps with the prediction of the dispersion of these atmospheric pollutants in the air has been established, which uses the Graz Lagrangian Model (GRAL) and takes into account the meteorological conditions and morphology of the city. The results obtained in the experimental evaluation of the proposal indicate a good accuracy in the modelling of traffic flows, whereas the comparison of the prediction of air pollutants with real measurements shows a general underestimation, due to some limitations of the input data considered. In any case, the results indicate that this first approach can be used for forecasting the air pollution within the city.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Air pollution due to the presence of small particles and gases in the atmosphere is a major cause of health problems. In urban areas, where most of the population is concentrated, traffic is a major source of air pollutants (such as nitrogen oxides or $$hbox NO_x$$ and carbon monoxide or CO). Therefore, for smart cities, carrying out an adequate traffic monitoring is a key issue, since it can help citizens to make better decisions and public administrations to define appropriate policies. Thus, citizens could use these data to make appropriate mobility decisions. In the same way, a city council can exploit the collected data for traffic management and for the establishment of suitable traffic policies throughout the city, such as restricting the traffic flow in certain areas. For this purpose, a suitable modelling approach that provides the estimated/predicted values of pollutants at each location is needed. In this paper, an approach followed to model traffic flow and air pollution dispersion in the city of Zaragoza (Spain) is described. Our goal is to estimate the air quality in different areas of the city, to raise awareness and help citizens to make better decisions; for this purpose, traffic data play an important role. In more detail, the proposal presented includes a traffic modelling approach to estimate and predict the amount of traffic at each road segment and hour, by combining historical measurements of real traffic of vehicles and the use of the SUMO traffic simulator on real city roadmaps, along with the application of a trajectory generation strategy that complements the functionalities of SUMO (for example, SUMO's calibrators). Furthermore, a pollution modelling approach is also provided, to estimate the impact of traffic flows in terms of pollutants in the atmosphere: an R package called Vehicular Emissions INventories (VEIN) is used to estimate the amount of $$hbox NO_x$$ generated by the traffic flows by taking into account the vehicular fleet composition (i.e., the types of vehicles, their size and the type of fuel they use) of the studied area. Finally, considering this estimation of $$hbox NO_x$$ , a service capable of offering maps with the prediction of the dispersion of these atmospheric pollutants in the air has been established, which uses the Graz Lagrangian Model (GRAL) and takes into account the meteorological conditions and morphology of the city. The results obtained in the experimental evaluation of the proposal indicate a good accuracy in the modelling of traffic flows, whereas the comparison of the prediction of air pollutants with real measurements shows a general underestimation, due to some limitations of the input data considered. In any case, the results indicate that this first approach can be used for forecasting the air pollution within the city.
Alexandrino, Katiuska; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Experimental and simulation study of the high pressure oxidation of dimethyl carbonate Journal Article
In: Fuel, vol. 309, pp. 122154, 2022, ISSN: 0016-2361.
@article{Alexandrino2022,
title = {Experimental and simulation study of the high pressure oxidation of dimethyl carbonate},
author = {Katiuska Alexandrino and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1016/J.FUEL.2021.122154},
issn = {0016-2361},
year = {2022},
date = {2022-02-01},
urldate = {2022-02-01},
journal = {Fuel},
volume = {309},
pages = {122154},
publisher = {Elsevier},
abstract = {An experimental and modeling study of the oxidation at high pressure of dimethyl carbonate (DMC) has been performed in a quartz tubular flow reactor. Experimental and simulated concentrations of DMC, CO, CO2 and H2 have been obtained for different temperatures (500–1073 K), pressures (20, 40, and 60 atm) and stoichiometries ($łambda$ = 0.7, 1, and 35). Both pressure and concentration of oxygen are important parameters for conversion of DMC. The simulations have been carried out using a detailed kinetic mechanism previously developed by the research group. In general, the model is able to reproduce the experimental trends of the different concentration profiles, although some discrepancies are observed between experimental and simulation results. The performance of the model was also evaluated through the simulation of literature data of the oxidation of DMC at atmospheric pressure in a flow reactor and of the DMC ignition delay times under low and high pressures. In this sense, this work contributes to the knowledge of the combustion process of DMC, by providing new experimental data on the conversion of DMC at high pressures and using a kinetic model for the interpretation of the results.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
An experimental and modeling study of the oxidation at high pressure of dimethyl carbonate (DMC) has been performed in a quartz tubular flow reactor. Experimental and simulated concentrations of DMC, CO, CO2 and H2 have been obtained for different temperatures (500–1073 K), pressures (20, 40, and 60 atm) and stoichiometries ($łambda$ = 0.7, 1, and 35). Both pressure and concentration of oxygen are important parameters for conversion of DMC. The simulations have been carried out using a detailed kinetic mechanism previously developed by the research group. In general, the model is able to reproduce the experimental trends of the different concentration profiles, although some discrepancies are observed between experimental and simulation results. The performance of the model was also evaluated through the simulation of literature data of the oxidation of DMC at atmospheric pressure in a flow reactor and of the DMC ignition delay times under low and high pressures. In this sense, this work contributes to the knowledge of the combustion process of DMC, by providing new experimental data on the conversion of DMC at high pressures and using a kinetic model for the interpretation of the results.
2021
Journal Articles
Bourgalais, Jérémy; Herbinet, Olivier; Carstensen, Hans Heinrich; Debleza, Janney; Garcia, Gustavo A.; Arnoux, Philippe; Tran, Luc Sy; Vanhove, Guillaume; Liu, Binzhi; Wang, Zhandong; Hochlaf, Majdi; Nahon, Laurent; Battin-Leclerc, Frédérique
In: Energy and Fuels, vol. 35, no. 23, pp. 19689–19704, 2021, ISSN: 15205029.
@article{Bourgalais2021,
title = {Jet-Stirred Reactor Study of Low-Temperature Neopentane Oxidation: A Combined Theoretical, Chromatographic, Mass Spectrometric, and PEPICO Analysis},
author = {Jérémy Bourgalais and Olivier Herbinet and Hans Heinrich Carstensen and Janney Debleza and Gustavo A. Garcia and Philippe Arnoux and Luc Sy Tran and Guillaume Vanhove and Binzhi Liu and Zhandong Wang and Majdi Hochlaf and Laurent Nahon and Frédérique Battin-Leclerc},
url = {https://pubs.acs.org/doi/full/10.1021/acs.energyfuels.1c02080},
doi = {10.1021/ACS.ENERGYFUELS.1C02080/SUPPL_FILE/EF1C02080_SI_002.XLSX},
issn = {15205029},
year = {2021},
date = {2021-12-01},
journal = {Energy and Fuels},
volume = {35},
number = {23},
pages = {19689--19704},
publisher = {American Chemical Society},
abstract = {The oxidation of neopentane was studied in jet-stirred reactors at atmospheric pressure over a temperature range 500-850 K and $phi$ = 0.5. The products were analyzed with chromatographic, mass spectrometric, and photoelectron spectroscopic setups complemented with theoretical calculations. This combination provides a comparison of photo-ionization mass spectrometry and gas chromatography for the quantification of mole fractions and highlights the relevant differences between them, while mass-tagged photoelectron spectroscopy sheds light onto the isomeric distribution. The new data and corresponding analyses are expected to provide valuable guidance for an extension of the kinetic model and the choice of experimental methods. The main first and second O2-addition products were observed in agreement with the literature (e.g., 3,3-dimethyloxetane, acetone, isobutene, and ?-ketohydroperoxide). The simulated mole fractions of the products using a literature kinetic model were compared to the experimental results. Even though the kinetic model has been validated previously, significant discrepancies between the measured and simulated mole fractions of 2-methylpropanal and methacrolein, two fuel-specific low-temperature oxidation products, were found. Furthermore, some experimentally observed species related to ?-ketohydroperoxide decomposition were not predicted indicating that the model is incomplete. The detection of 2-methylpropanal and formic acid highlighted the importance of the Korcek-type pathway.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The oxidation of neopentane was studied in jet-stirred reactors at atmospheric pressure over a temperature range 500-850 K and $phi$ = 0.5. The products were analyzed with chromatographic, mass spectrometric, and photoelectron spectroscopic setups complemented with theoretical calculations. This combination provides a comparison of photo-ionization mass spectrometry and gas chromatography for the quantification of mole fractions and highlights the relevant differences between them, while mass-tagged photoelectron spectroscopy sheds light onto the isomeric distribution. The new data and corresponding analyses are expected to provide valuable guidance for an extension of the kinetic model and the choice of experimental methods. The main first and second O2-addition products were observed in agreement with the literature (e.g., 3,3-dimethyloxetane, acetone, isobutene, and ?-ketohydroperoxide). The simulated mole fractions of the products using a literature kinetic model were compared to the experimental results. Even though the kinetic model has been validated previously, significant discrepancies between the measured and simulated mole fractions of 2-methylpropanal and methacrolein, two fuel-specific low-temperature oxidation products, were found. Furthermore, some experimentally observed species related to ?-ketohydroperoxide decomposition were not predicted indicating that the model is incomplete. The detection of 2-methylpropanal and formic acid highlighted the importance of the Korcek-type pathway.
Renda, Simona; Stasi, Christian Di; Manyà, Joan Josep; Palma, Vincenzo
Biochar as support in catalytic CO2 methanation: Enhancing effect of CeO2 addition Journal Article
In: Journal of CO2 Utilization, vol. 53, pp. 101740, 2021, ISSN: 2212-9820.
@article{Renda2021,
title = {Biochar as support in catalytic CO2 methanation: Enhancing effect of CeO2 addition},
author = {Simona Renda and Christian {Di Stasi} and Joan Josep Manyà and Vincenzo Palma},
url = {https://linkinghub.elsevier.com/retrieve/pii/S2212982021003073},
doi = {10.1016/J.JCOU.2021.101740},
issn = {2212-9820},
year = {2021},
date = {2021-11-01},
journal = {Journal of CO2 Utilization},
volume = {53},
pages = {101740},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Greco, Gianluca; Videgain, María; Stasi, Christian Di; Pires, Elisabet; Manyà, Joan Josep
Importance of pyrolysis temperature and pressure in the concentration of polycyclic aromatic hydrocarbons in wood waste-derived biochars Journal Article
In: Journal of Analytical and Applied Pyrolysis, vol. 159, pp. 105337, 2021, ISSN: 0165-2370.
@article{Greco2021,
title = {Importance of pyrolysis temperature and pressure in the concentration of polycyclic aromatic hydrocarbons in wood waste-derived biochars},
author = {Gianluca Greco and María Videgain and Christian {Di Stasi} and Elisabet Pires and Joan Josep Manyà},
doi = {10.1016/J.JAAP.2021.105337},
issn = {0165-2370},
year = {2021},
date = {2021-10-01},
journal = {Journal of Analytical and Applied Pyrolysis},
volume = {159},
pages = {105337},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Videgain, María; Manyà, Joan Josep; Vidal, Mariano; Correa, Eva Cristina; Diezma, Belén; García-Ramos, Francisco Javier; Méndez, Ana
Influence of Feedstock and Final Pyrolysis Temperature on Breaking Strength and Dust Production of Wood-Derived Biochars Journal Article
In: Sustainability 2021, Vol. 13, Page 11871, vol. 13, no. 21, pp. 11871, 2021, ISSN: 2071-1050.
@article{Videgain2021,
title = {Influence of Feedstock and Final Pyrolysis Temperature on Breaking Strength and Dust Production of Wood-Derived Biochars},
author = {María Videgain and Joan Josep Manyà and Mariano Vidal and Eva Cristina Correa and Belén Diezma and Francisco Javier García-Ramos and Ana Méndez},
url = {https://www.mdpi.com/2071-1050/13/21/11871/htm https://www.mdpi.com/2071-1050/13/21/11871},
doi = {10.3390/SU132111871},
issn = {2071-1050},
year = {2021},
date = {2021-10-01},
urldate = {2021-10-01},
journal = {Sustainability 2021, Vol. 13, Page 11871},
volume = {13},
number = {21},
pages = {11871},
publisher = {Multidisciplinary Digital Publishing Institute},
abstract = {The susceptibility to fragmentation of biochar is an important property to consider in field applications. Physical and mechanical properties of wood-derived biochars from vine shoots and holm oak were studied to evaluate the effect of biomass feedstock, final pyrolysis temperature and application conditions. Vine shoots and holm oak pruning residues were selected for biochar production. Slow pyrolysis experiments were conducted at two different final temperatures (400 and 600 °C). Physical and chemical characteristics of biomass and biochars were determined. Impact strength was evaluated through the measurement of the gravitational potential energy per unit area (J mm−2) necessary for the breakage of biochar fragments. Shear strength (N mm−2) and a combination of shear/compression strengths (N) were analyzed using a Universal Texture Analyzer. A particular mechanical treatment was carried out on biochar samples to simulate the processing bodies of a commercial manure spreader, under two gravimetric moisture contents. Holm oak-derived biochar was more resistant than vine shoot-derived biochar to the applied forces. Vine shoots-derived biochar did not show a significantly different mechanical behavior between temperatures. Holm Oak-derived biochar produced at the higher final pyrolysis temperature showed higher resistance to be broken into smaller pieces. Moistening resulted in an adequate practice to improve mechanical spreading.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The susceptibility to fragmentation of biochar is an important property to consider in field applications. Physical and mechanical properties of wood-derived biochars from vine shoots and holm oak were studied to evaluate the effect of biomass feedstock, final pyrolysis temperature and application conditions. Vine shoots and holm oak pruning residues were selected for biochar production. Slow pyrolysis experiments were conducted at two different final temperatures (400 and 600 °C). Physical and chemical characteristics of biomass and biochars were determined. Impact strength was evaluated through the measurement of the gravitational potential energy per unit area (J mm−2) necessary for the breakage of biochar fragments. Shear strength (N mm−2) and a combination of shear/compression strengths (N) were analyzed using a Universal Texture Analyzer. A particular mechanical treatment was carried out on biochar samples to simulate the processing bodies of a commercial manure spreader, under two gravimetric moisture contents. Holm oak-derived biochar was more resistant than vine shoot-derived biochar to the applied forces. Vine shoots-derived biochar did not show a significantly different mechanical behavior between temperatures. Holm Oak-derived biochar produced at the higher final pyrolysis temperature showed higher resistance to be broken into smaller pieces. Moistening resulted in an adequate practice to improve mechanical spreading.
Abián, María; Benés, Mario; de Goñi, A; Muñoz, B; Alzueta, María U
Study of the oxidation of ammonia in a flow reactor. Experiments and kinetic modeling simulation Journal Article
In: Fuel, vol. 300, pp. 120979, 2021, ISSN: 0016-2361.
@article{Abian2021,
title = {Study of the oxidation of ammonia in a flow reactor. Experiments and kinetic modeling simulation},
author = {María Abián and Mario Benés and A de Goñi and B Muñoz and María U Alzueta},
doi = {10.1016/J.FUEL.2021.120979},
issn = {0016-2361},
year = {2021},
date = {2021-09-01},
journal = {Fuel},
volume = {300},
pages = {120979},
publisher = {Elsevier},
abstract = {The present work is focused on the analysis of the ammonia oxidation process and the formation of main nitrogen oxides (NO, NO2 and N2O) over a wide range of temperatures and O2 reaction environments. Experiments are performed at atmospheric pressure in a laboratory quartz tubular flow reactor, covering the temperature range of 875 to 1450 K and for different air excess ratios (from pyrolysis to very oxidizing conditions). The experimental results are simulated and interpreted in terms of a detailed chemical-kinetic mechanism. Reaction path and sensitivity analyses are used to delineate the NH3 oxidation scheme.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The present work is focused on the analysis of the ammonia oxidation process and the formation of main nitrogen oxides (NO, NO2 and N2O) over a wide range of temperatures and O2 reaction environments. Experiments are performed at atmospheric pressure in a laboratory quartz tubular flow reactor, covering the temperature range of 875 to 1450 K and for different air excess ratios (from pyrolysis to very oxidizing conditions). The experimental results are simulated and interpreted in terms of a detailed chemical-kinetic mechanism. Reaction path and sensitivity analyses are used to delineate the NH3 oxidation scheme.
Alzueta, María U; Ara, L; Mercader, VD; Delogu, M; Bilbao, Rafael
Interaction of NH3 and NO under combustion conditions. Experimental flow reactor study and kinetic modeling simulation Journal Article
In: Combustion and Flame, pp. 111691, 2021, ISSN: 0010-2180.
@article{Alzueta2021,
title = {Interaction of NH3 and NO under combustion conditions. Experimental flow reactor study and kinetic modeling simulation},
author = {María U Alzueta and L Ara and VD Mercader and M Delogu and Rafael Bilbao},
url = {https://linkinghub.elsevier.com/retrieve/pii/S001021802100434X},
doi = {10.1016/J.COMBUSTFLAME.2021.111691},
issn = {0010-2180},
year = {2021},
date = {2021-08-01},
journal = {Combustion and Flame},
pages = {111691},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Stasi, Christian Di; Renda, Simona; Greco, Gianluca; González, Belén; Palma, Vincenzo; Manyà, Joan Josep
Wheat-Straw-Derived Activated Biochar as a Renewable Support of Ni-CeO2 Catalysts for CO2 Methanation Journal Article
In: Sustainability 2021, Vol. 13, Page 8939, vol. 13, no. 16, pp. 8939, 2021.
@article{Stasi2021,
title = {Wheat-Straw-Derived Activated Biochar as a Renewable Support of Ni-CeO2 Catalysts for CO2 Methanation},
author = {Christian {Di Stasi} and Simona Renda and Gianluca Greco and Belén González and Vincenzo Palma and Joan Josep Manyà},
url = {https://www.mdpi.com/2071-1050/13/16/8939/htm https://www.mdpi.com/2071-1050/13/16/8939},
doi = {10.3390/SU13168939},
year = {2021},
date = {2021-08-01},
journal = {Sustainability 2021, Vol. 13, Page 8939},
volume = {13},
number = {16},
pages = {8939},
publisher = {Multidisciplinary Digital Publishing Institute},
abstract = {Ceria- and urea-doped activated biochars were used as support for Ni-based catalysts for CO2 methanation purposes. Different materials were prepared and tested to find the best catalytic formulation. After several CO2 methanation experiments—carried out at 0.35–1.0 MPa and 300–500 °C—it was found that the most suitable catalyst was a wheat-straw-derived activated biochar loaded with 30 wt.% of CeO2 and 20 wt.% of Ni. Using this catalyst, a CO2 conversion of 65% with a CH4 selectivity of 95% was reached at 1.0 MPa, 400 °C, and 13,200 h−1. From the study of the influence of the gas hourly space velocity, it was deduced that the most likely reaction mechanism was a reverse water–gas shift reaction, followed by CO hydrogenation. N-doping of the carbon support as an alternative to the use of ceria was also investigated. However, both CO2 conversion and selectivity toward CH4 values were clearly lower than those obtained for the ceria-containing catalyst cited above. The outcomes of this work indicate that a renewable biomass-derived support can be effectively employed in the catalytic conversion of CO2 to methane.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ceria- and urea-doped activated biochars were used as support for Ni-based catalysts for CO2 methanation purposes. Different materials were prepared and tested to find the best catalytic formulation. After several CO2 methanation experiments—carried out at 0.35–1.0 MPa and 300–500 °C—it was found that the most suitable catalyst was a wheat-straw-derived activated biochar loaded with 30 wt.% of CeO2 and 20 wt.% of Ni. Using this catalyst, a CO2 conversion of 65% with a CH4 selectivity of 95% was reached at 1.0 MPa, 400 °C, and 13,200 h−1. From the study of the influence of the gas hourly space velocity, it was deduced that the most likely reaction mechanism was a reverse water–gas shift reaction, followed by CO hydrogenation. N-doping of the carbon support as an alternative to the use of ceria was also investigated. However, both CO2 conversion and selectivity toward CH4 values were clearly lower than those obtained for the ceria-containing catalyst cited above. The outcomes of this work indicate that a renewable biomass-derived support can be effectively employed in the catalytic conversion of CO2 to methane.
Fortea, Jorge; García, Lucía; Ruiz, Joaquín; Oliva, Miriam; Arauzo, Jesús
In: Processes 2021, Vol. 9, Page 1438, vol. 9, no. 8, pp. 1438, 2021, ISSN: 2227-9717.
@article{Fortea2021,
title = {An Insight into the Separation of 1,2-Propanediol, Ethylene Glycol, Acetol and Glycerol from an Aqueous Solution by Adsorption on Activated Carbon},
author = {Jorge Fortea and Lucía García and Joaquín Ruiz and Miriam Oliva and Jesús Arauzo},
url = {https://www.mdpi.com/2227-9717/9/8/1438/htm https://www.mdpi.com/2227-9717/9/8/1438},
doi = {10.3390/PR9081438},
issn = {2227-9717},
year = {2021},
date = {2021-08-01},
journal = {Processes 2021, Vol. 9, Page 1438},
volume = {9},
number = {8},
pages = {1438},
publisher = {Multidisciplinary Digital Publishing Institute},
abstract = {Glycerol conversion processes such as aqueous phase reforming and hydrogenolysis generate value-added compounds highly diluted in water. Because distillation is a high energy demand separation step, adsorption could be an attractive alternative to recover these chemicals. Adsorption isotherms of 1,2-propanediol, acetol, ethylene glycol and glycerol onto activated carbon were determined by batch adsorption experiments. These isotherms were fitted slightly better to the Freundlich equation than to the Langmuir equation. Acetol is the compound with the highest adsorption at concentrations smaller than 1 M. Properties of the adsorbate such as the −OH group number, chain length, molecular size and dipole moment, besides characteristics of the adsorbent such as the surface area, oxygen and ash content, are considered to explain the observed results. Moreover, adsorption experiments were performed with mixtures of compounds and it was determined that the molar amount adsorbed is less than predicted from the adsorption isotherms of the individual compounds treated separately. In addition, the influence of the activated carbon thermal pre-treatment temperature on the adsorption capacity has been studied, the optimum being 800 °C. An analysis of the influence of the activated carbon characteristics showed that the most important parameters are the total pore volume and the ash content.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Glycerol conversion processes such as aqueous phase reforming and hydrogenolysis generate value-added compounds highly diluted in water. Because distillation is a high energy demand separation step, adsorption could be an attractive alternative to recover these chemicals. Adsorption isotherms of 1,2-propanediol, acetol, ethylene glycol and glycerol onto activated carbon were determined by batch adsorption experiments. These isotherms were fitted slightly better to the Freundlich equation than to the Langmuir equation. Acetol is the compound with the highest adsorption at concentrations smaller than 1 M. Properties of the adsorbate such as the −OH group number, chain length, molecular size and dipole moment, besides characteristics of the adsorbent such as the surface area, oxygen and ash content, are considered to explain the observed results. Moreover, adsorption experiments were performed with mixtures of compounds and it was determined that the molar amount adsorbed is less than predicted from the adsorption isotherms of the individual compounds treated separately. In addition, the influence of the activated carbon thermal pre-treatment temperature on the adsorption capacity has been studied, the optimum being 800 °C. An analysis of the influence of the activated carbon characteristics showed that the most important parameters are the total pore volume and the ash content.
Romero, Enrique; García, Lucía; Ceamanos, Jesús
Moodle and Socrative quizzes as formative aids on theory teaching in a chemical engineering subject Journal Article
In: Education for Chemical Engineers, vol. 36, pp. 54–64, 2021, ISSN: 17497728.
@article{Romero2021,
title = {Moodle and Socrative quizzes as formative aids on theory teaching in a chemical engineering subject},
author = {Enrique Romero and Lucía García and Jesús Ceamanos},
doi = {10.1016/j.ece.2021.03.001},
issn = {17497728},
year = {2021},
date = {2021-07-01},
journal = {Education for Chemical Engineers},
volume = {36},
pages = {54--64},
publisher = {Elsevier B.V.},
abstract = {There is a majority opinion on the positive influence of using technologies in teaching. However, few studies account for their effect on students' final grades. Traditional theory teaching often shows a lack of students' motivation, engagement and self-efficacy. A way to improve these is to include quizzes, which may allow students to gain in skills acquisition feedback and self-regulation, and to control their own way to construct knowledge. The suggested methodology embeds quizzes and tests through two ICT, each one with a different strategy. One is the use of quick and real-time quizzes with Socrative, focused in promoting motivation and engagement in the classroom. The second is the use of tests with Moodle for a longer time scale (blocks of lessons). Both tests and quizzes were designed as formative activities: the students are able to gain feed-back, weaknesses identification and better programming of their work. Three ‘tools' (one Moodle test; three Socrative quizzes; no tool/only traditional teaching) were rotated among three different cohorts and blocks in a Chemical Engineering subject (n=49 students). Effects on the students' learning outcomes (grades) at the final theory exam were evaluated by blocks. A paired-data one-factor ANOVA test showed no significant statistical differences in using Moodle tests or Socrative quizzes or not. Some possible negative influences over data were identified and improvements for further study have been suggested. An intensification of quizzes and tests could be relevant. Although no significant improvement over grades was obtained, the use of both tools was positively valued for students and instructors. Surveys' results showed that the proposed methodology may create a more attractive and self-regulated educational environment. However, this study supports that students' previous perceptions about the tools may condition their final perceptions over the ICTs real aid for learning and their future academic outcomes.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
There is a majority opinion on the positive influence of using technologies in teaching. However, few studies account for their effect on students' final grades. Traditional theory teaching often shows a lack of students' motivation, engagement and self-efficacy. A way to improve these is to include quizzes, which may allow students to gain in skills acquisition feedback and self-regulation, and to control their own way to construct knowledge. The suggested methodology embeds quizzes and tests through two ICT, each one with a different strategy. One is the use of quick and real-time quizzes with Socrative, focused in promoting motivation and engagement in the classroom. The second is the use of tests with Moodle for a longer time scale (blocks of lessons). Both tests and quizzes were designed as formative activities: the students are able to gain feed-back, weaknesses identification and better programming of their work. Three ‘tools' (one Moodle test; three Socrative quizzes; no tool/only traditional teaching) were rotated among three different cohorts and blocks in a Chemical Engineering subject (n=49 students). Effects on the students' learning outcomes (grades) at the final theory exam were evaluated by blocks. A paired-data one-factor ANOVA test showed no significant statistical differences in using Moodle tests or Socrative quizzes or not. Some possible negative influences over data were identified and improvements for further study have been suggested. An intensification of quizzes and tests could be relevant. Although no significant improvement over grades was obtained, the use of both tools was positively valued for students and instructors. Surveys' results showed that the proposed methodology may create a more attractive and self-regulated educational environment. However, this study supports that students' previous perceptions about the tools may condition their final perceptions over the ICTs real aid for learning and their future academic outcomes.
Stasi, Christian Di; Cortese, Marta; Greco, Gianluca; Renda, Simona; González, Belén; Palma, Vincenzo; Manyà, Joan Josep
Optimization of the operating conditions for steam reforming of slow pyrolysis oil over an activated biochar-supported Ni–Co catalyst Journal Article
In: International Journal of Hydrogen Energy, 2021, ISSN: 03603199.
@article{DiStasi2021,
title = {Optimization of the operating conditions for steam reforming of slow pyrolysis oil over an activated biochar-supported Ni–Co catalyst},
author = {Christian {Di Stasi} and Marta Cortese and Gianluca Greco and Simona Renda and Belén González and Vincenzo Palma and Joan Josep Manyà},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0360319921020450},
doi = {10.1016/j.ijhydene.2021.05.193},
issn = {03603199},
year = {2021},
date = {2021-06-01},
journal = {International Journal of Hydrogen Energy},
publisher = {Pergamon},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Adánez-Rubio, Iñaki; Fonts, Isabel; de Blas, P; Viteri, Fausto; Gea, Gloria; Alzueta, María U
Exploratory study of polycyclic aromatic hydrocarbons occurrence and distribution in manure pyrolysis products Journal Article
In: Journal of Analytical and Applied Pyrolysis, vol. 155, pp. 105078, 2021, ISSN: 01652370.
@article{Adanez-Rubio2021,
title = {Exploratory study of polycyclic aromatic hydrocarbons occurrence and distribution in manure pyrolysis products},
author = {Iñaki Adánez-Rubio and Isabel Fonts and P de Blas and Fausto Viteri and Gloria Gea and María U Alzueta},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0165237021000644},
doi = {10.1016/j.jaap.2021.105078},
issn = {01652370},
year = {2021},
date = {2021-05-01},
journal = {Journal of Analytical and Applied Pyrolysis},
volume = {155},
pages = {105078},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Videgain, María; Marco-Montori, Pedro; Martí-Dalmau, Clara; Jaizme-Vega, María Del Carmen; Manyà, Joan Josep; García-Ramos, Francisco Javier
The effects of biochar on indigenous arbuscular mycorrhizae fungi from agroenvironments Journal Article
In: Plants, vol. 10, no. 5, pp. 950, 2021, ISSN: 22237747.
@article{Videgain-Marco2021,
title = {The effects of biochar on indigenous arbuscular mycorrhizae fungi from agroenvironments},
author = {María Videgain and Pedro Marco-Montori and Clara Martí-Dalmau and María Del Carmen Jaizme-Vega and Joan Josep Manyà and Francisco Javier García-Ramos},
url = {https://doi.org/10.3390/plants10050950},
doi = {10.3390/plants10050950},
issn = {22237747},
year = {2021},
date = {2021-05-01},
journal = {Plants},
volume = {10},
number = {5},
pages = {950},
publisher = {MDPI AG},
abstract = {The effects of biochar on soil–plant–microorganisms systems are currently being extensively investigated. Considering that arbuscular mycorrhizal fungi (AMF) play an essential role in nutrient dynamics, the present study aims at understanding vine shoot-derived biochar effects on AMF activity and the impact of their multiplication in soils on water-stress resistance of plants. Three agronomic tests were performed in greenhouse pots. The first experiment evaluated the effects of three factors: final pyrolysis temperature for biochar production (400◦ C and 600◦ C), application rate (0 weight-wt.-% as a control, 1.5 wt. %, and 3.0 wt. %) and texture of the growing media (sandy-loam and clay-loam origin) on AMF, microbial communities and phosphatase activity. In the second experiment, an indigenous consortium of AMF was multiplied through the solid substrate method and sorghum as a trap plant with biochar addition. This process was compared to a control treatment without biochar. Obtained inocula were tested in a third experiment with lettuce plants under different water irrigation conditions. Results from the first experiment showed a general increase in AMF activity with the addition of the biochar produced at 400◦ C in the sandy-loam texture substrate. Results of the second experiment showed that the biochar addition increased AMF root colonization, the number of AMF spores and AMF infective potential. Results of the third experiment showed that biochar-derived AMF inoculum increased AMF root colonization, AMF spores, dry biomass and the SPAD index in a lettuce crop under low-water irrigation conditions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The effects of biochar on soil–plant–microorganisms systems are currently being extensively investigated. Considering that arbuscular mycorrhizal fungi (AMF) play an essential role in nutrient dynamics, the present study aims at understanding vine shoot-derived biochar effects on AMF activity and the impact of their multiplication in soils on water-stress resistance of plants. Three agronomic tests were performed in greenhouse pots. The first experiment evaluated the effects of three factors: final pyrolysis temperature for biochar production (400◦ C and 600◦ C), application rate (0 weight-wt.-% as a control, 1.5 wt. %, and 3.0 wt. %) and texture of the growing media (sandy-loam and clay-loam origin) on AMF, microbial communities and phosphatase activity. In the second experiment, an indigenous consortium of AMF was multiplied through the solid substrate method and sorghum as a trap plant with biochar addition. This process was compared to a control treatment without biochar. Obtained inocula were tested in a third experiment with lettuce plants under different water irrigation conditions. Results from the first experiment showed a general increase in AMF activity with the addition of the biochar produced at 400◦ C in the sandy-loam texture substrate. Results of the second experiment showed that the biochar addition increased AMF root colonization, the number of AMF spores and AMF infective potential. Results of the third experiment showed that biochar-derived AMF inoculum increased AMF root colonization, AMF spores, dry biomass and the SPAD index in a lettuce crop under low-water irrigation conditions.
Pelucchi, Matteo; Arunthanayothin, Suphaporn; Song, Yu; Herbinet, Olivier; Stagni, Alessandro; Carstensen, Hans-Heinrich; Faravelli, Tiziano; Battin-Leclerc, Frédérique
In: Energy and Fuels, vol. 35, no. 9, pp. 7265–7284, 2021, ISSN: 15205029.
@article{Pelucchi2021,
title = {Pyrolysis and combustion chemistry of pyrrole, a reference component for bio-oil surrogates: Jet-stirred reactor experiments and kinetic modeling},
author = {Matteo Pelucchi and Suphaporn Arunthanayothin and Yu Song and Olivier Herbinet and Alessandro Stagni and Hans-Heinrich Carstensen and Tiziano Faravelli and Frédérique Battin-Leclerc},
url = {https://dx.doi.org/10.1021/acs.energyfuels.0c03874},
doi = {10.1021/acs.energyfuels.0c03874},
issn = {15205029},
year = {2021},
date = {2021-05-01},
journal = {Energy and Fuels},
volume = {35},
number = {9},
pages = {7265--7284},
publisher = {American Chemical Society},
abstract = {Fast-pyrolysis bio-oils (FPBOs) obtained from lignocellulosic biomass are gaining attention as sustainable fuels for various applications, including the transport sector and power production. A significant fraction of bio-oils is constituted by nitrogen-containing compounds (N fuels) that should be considered when developing surrogate models for FPBOs. Moreover, the content of N fuels in FPBOs is expected to strongly contribute to the production of nitrogen oxides (NOx) directly from fuel-bound nitrogen (fuel NOx), in addition to the thermal NOx formation pathways typical of high-temperature combustion conditions. This work investigates the pyrolysis and combustion chemistry of pyrrole (C4H5N), a candidate reference fuel component for FPBO surrogate models. Speciation measurements in an atmospheric pressure jet-stirred reactor have been performed for both pyrolysis and oxidation conditions. Pyrolysis experiments have been performed for 1% pyrrole/helium mixtures over the temperature range T = 925.1200 K. Oxidation experiments were carried out for 1% pyrrole/oxygen/helium mixtures at three equivalence ratios ($phi$ = 0.5, 1.0, and 2.0) over the temperature range T = 700. 1200 K. These new data significantly extend the number of experimental targets for kinetic model validation available at present for pyrrole combustion. After a thorough revision of previous theoretical and kinetic modeling studies, a preliminary kinetic model is developed and validated by means of comparison to new experimental data and those previously reported in the literature. The rate of production and sensitivity analyses highlight important pathways deserving further investigations for a better understanding of pyrrole and, more in general, N fuel combustion chemistry. A critical discussion on experimental challenges to be faced when dealing with pyrrole is also reported, encouraging further experimental investigation with advanced diagnostics.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Fast-pyrolysis bio-oils (FPBOs) obtained from lignocellulosic biomass are gaining attention as sustainable fuels for various applications, including the transport sector and power production. A significant fraction of bio-oils is constituted by nitrogen-containing compounds (N fuels) that should be considered when developing surrogate models for FPBOs. Moreover, the content of N fuels in FPBOs is expected to strongly contribute to the production of nitrogen oxides (NOx) directly from fuel-bound nitrogen (fuel NOx), in addition to the thermal NOx formation pathways typical of high-temperature combustion conditions. This work investigates the pyrolysis and combustion chemistry of pyrrole (C4H5N), a candidate reference fuel component for FPBO surrogate models. Speciation measurements in an atmospheric pressure jet-stirred reactor have been performed for both pyrolysis and oxidation conditions. Pyrolysis experiments have been performed for 1% pyrrole/helium mixtures over the temperature range T = 925.1200 K. Oxidation experiments were carried out for 1% pyrrole/oxygen/helium mixtures at three equivalence ratios ($phi$ = 0.5, 1.0, and 2.0) over the temperature range T = 700. 1200 K. These new data significantly extend the number of experimental targets for kinetic model validation available at present for pyrrole combustion. After a thorough revision of previous theoretical and kinetic modeling studies, a preliminary kinetic model is developed and validated by means of comparison to new experimental data and those previously reported in the literature. The rate of production and sensitivity analyses highlight important pathways deserving further investigations for a better understanding of pyrrole and, more in general, N fuel combustion chemistry. A critical discussion on experimental challenges to be faced when dealing with pyrrole is also reported, encouraging further experimental investigation with advanced diagnostics.
Macías, Robert J; Maya, Juan C; Chejne, Farid; Afailal, Zainab; Arauzo, Jesús
Modeling a fluidized bed reactor by integrating various scales: Pore, particle, and reactor Journal Article
In: AIChE Journal, vol. 67, no. 5, pp. 44842–210, 2021, ISSN: 15475905.
@article{Macias2021,
title = {Modeling a fluidized bed reactor by integrating various scales: Pore, particle, and reactor},
author = {Robert J Macías and Juan C Maya and Farid Chejne and Zainab Afailal and Jesús Arauzo},
url = {https://doi.org/10.1002/aic.17199},
doi = {10.1002/aic.17199},
issn = {15475905},
year = {2021},
date = {2021-05-01},
journal = {AIChE Journal},
volume = {67},
number = {5},
pages = {44842--210},
publisher = {John Wiley and Sons Inc},
abstract = {This work proposes a novel population-balance based model for a bubbling fluidized bed reactor. This model considers two continuum phases: bubble and emulsion. The evolution of the bubble size distribution was modeled using a population balance, considering both axial and radial motion. This sub-model involves a new mathematical form for the aggregation frequency, which predicts the migration of bubbles from the reactor wall toward the reactor center. Additionally, reacting particles were considered as a Lagrangian phase, which exchanges mass with emulsion phases. For each particle, the variation of the pore size distribution was also considered. The model presented here accurately predicted the experimental data for biochar gasification in a lab-scale bubbling fluidized bed reactor. Finally, the aggregation frequency is shown to serve as a scaling parameter.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
This work proposes a novel population-balance based model for a bubbling fluidized bed reactor. This model considers two continuum phases: bubble and emulsion. The evolution of the bubble size distribution was modeled using a population balance, considering both axial and radial motion. This sub-model involves a new mathematical form for the aggregation frequency, which predicts the migration of bubbles from the reactor wall toward the reactor center. Additionally, reacting particles were considered as a Lagrangian phase, which exchanges mass with emulsion phases. For each particle, the variation of the pore size distribution was also considered. The model presented here accurately predicted the experimental data for biochar gasification in a lab-scale bubbling fluidized bed reactor. Finally, the aggregation frequency is shown to serve as a scaling parameter.
