2024
Artículos de revista
Antorán, Daniel; Alvira, Darío; Sebastián, Víctor; Manyà, Joan Josep
Enhancing waste hemp hurd-derived anodes for sodium-ion batteries through hydrochloric acid-mediated hydrothermal pretreatment Artículo de revista
En: Biomass and Bioenergy, vol. 184, pp. 107197, 2024, ISSN: 0961-9534.
@article{antoran_enhancing_2024,
title = {Enhancing waste hemp hurd-derived anodes for sodium-ion batteries through hydrochloric acid-mediated hydrothermal pretreatment},
author = {Daniel Antorán and Darío Alvira and Víctor Sebastián and Joan Josep Manyà},
url = {https://www.sciencedirect.com/science/article/pii/S0961953424001508},
doi = {10.1016/j.biombioe.2024.107197},
issn = {0961-9534},
year = {2024},
date = {2024-05-01},
urldate = {2024-05-01},
journal = {Biomass and Bioenergy},
volume = {184},
pages = {107197},
abstract = {Waste hemp hurd (WHH) was used as a sustainable feedstock for producing hard carbon-based anodes for sodium-ion batteries (SIBs). Two easily scalable production pathways were tested and compared: (1) pyrolysis (at 500 °C) and subsequent annealing at 800, 1000 or 1200 °C, and (2) hydrothermal pretreatment (at 180 °C) and subsequent annealing at the above-mentioned highest temperatures. Results indicated that when a HCl (2 mol m−3) aqueous solution was used as hydrothermal medium, the textural, structural and surface chemistry features linked to the electrochemical performance of the resulting hard carbons improved. The WHH-derived electrode produced via HCl-mediated hydrothermal pretreatment and subsequent annealing at 1000 °C showed an exceptional electrochemical performance in terms of specific capacity (535 mA h g−1 at 30 mA g−1) and rate capability (372, 156, 115, and 83 mA h g−1 at 0.1, 0.5, 1, and 2 A g−1, respectively) when an ester-based electrolyte was used (NaTFSI in EC/DMC). Using an ether-based electrolyte (NaPF6 in diglyme) improved both the ICE (from 69% to 78%) and cycling stability (85% of capacity retention after 300 cycles at 1 A g−1; 91% when current rate returned to 0.1 A g−1). In summary, relatively low-cost WHH-derived carbons are able to deliver an exceptional performance, much better than that reported so far for other biomass-derived carbons, and even close to that exhibited by more expensive and complex composite and hybrid materials.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Waste hemp hurd (WHH) was used as a sustainable feedstock for producing hard carbon-based anodes for sodium-ion batteries (SIBs). Two easily scalable production pathways were tested and compared: (1) pyrolysis (at 500 °C) and subsequent annealing at 800, 1000 or 1200 °C, and (2) hydrothermal pretreatment (at 180 °C) and subsequent annealing at the above-mentioned highest temperatures. Results indicated that when a HCl (2 mol m−3) aqueous solution was used as hydrothermal medium, the textural, structural and surface chemistry features linked to the electrochemical performance of the resulting hard carbons improved. The WHH-derived electrode produced via HCl-mediated hydrothermal pretreatment and subsequent annealing at 1000 °C showed an exceptional electrochemical performance in terms of specific capacity (535 mA h g−1 at 30 mA g−1) and rate capability (372, 156, 115, and 83 mA h g−1 at 0.1, 0.5, 1, and 2 A g−1, respectively) when an ester-based electrolyte was used (NaTFSI in EC/DMC). Using an ether-based electrolyte (NaPF6 in diglyme) improved both the ICE (from 69% to 78%) and cycling stability (85% of capacity retention after 300 cycles at 1 A g−1; 91% when current rate returned to 0.1 A g−1). In summary, relatively low-cost WHH-derived carbons are able to deliver an exceptional performance, much better than that reported so far for other biomass-derived carbons, and even close to that exhibited by more expensive and complex composite and hybrid materials.
Cordoba-Ramirez, Marlon; Chejne, Farid; Alean, Jader; Gómez, Carlos A.; Navarro-Gil, África; Ábrego, Javier; Gea, Gloria
Experimental strategy for the preparation of adsorbent materials from torrefied palm kernel shell oriented to CO2 capture Artículo de revista
En: Environmental Science and Pollution Research, 2024, ISSN: 1614-7499.
@article{cordoba-ramirez_experimental_2024,
title = {Experimental strategy for the preparation of adsorbent materials from torrefied palm kernel shell oriented to CO2 capture},
author = {Marlon Cordoba-Ramirez and Farid Chejne and Jader Alean and Carlos A. Gómez and África Navarro-Gil and Javier Ábrego and Gloria Gea},
url = {https://doi.org/10.1007/s11356-024-32028-3},
doi = {10.1007/s11356-024-32028-3},
issn = {1614-7499},
year = {2024},
date = {2024-02-01},
urldate = {2024-02-01},
journal = {Environmental Science and Pollution Research},
abstract = {In this study, an experimental strategy to obtain biochar and activated carbon from torrefied palm kernel shell as an efficient material for CO2 removal was evaluated. Biochar was obtained by slow pyrolysis of palm kernel shell at different temperatures (350 °C, 550 °C, and 700 °C) and previously torrefied palm kernel shell at different temperatures (220 °C, 250 °C, and 280 °C). Subsequently, activated carbons were prepared by physical activation with CO2 from previously obtained biochar samples. The CO2 adsorption capacity was measured using TGA. The experimental results showed that there is a correlation between the change in the O/C and H/C ratios and the functional groups –OH and C=O observed via FTIR in the obtained char, indicating that both dehydration and deoxygenation reactions occur during torrefaction; this favors the deoxygenation reactions and makes them faster through CO2 liberation during the pyrolysis process. The microporous surface area shows a significant increase with higher pyrolysis temperatures, as a product of the continuous carbonization reactions, allowing more active sites for CO2 removal. Pyrolysis temperature is a key factor in CO2 adsorption capacity, leading to a CO2 adsorption capacity of up to 75 mg/gCO2 for biochar obtained at 700 °C from non-torrefied palm kernel shell (Char700). Activated carbon obtained from torrefied palm kernel shell at 280 °C (T280-CHAR700-AC) exhibited the highest CO2 adsorption capacity (101.9 mg/gCO2). Oxygen-containing functional groups have a direct impact on CO2 adsorption performance due to electron interactions between CO2 and these functional groups. These findings could provide a new experimental approach for obtaining optimal adsorbent materials exclusively derived from thermochemical conversion processes.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this study, an experimental strategy to obtain biochar and activated carbon from torrefied palm kernel shell as an efficient material for CO2 removal was evaluated. Biochar was obtained by slow pyrolysis of palm kernel shell at different temperatures (350 °C, 550 °C, and 700 °C) and previously torrefied palm kernel shell at different temperatures (220 °C, 250 °C, and 280 °C). Subsequently, activated carbons were prepared by physical activation with CO2 from previously obtained biochar samples. The CO2 adsorption capacity was measured using TGA. The experimental results showed that there is a correlation between the change in the O/C and H/C ratios and the functional groups –OH and C=O observed via FTIR in the obtained char, indicating that both dehydration and deoxygenation reactions occur during torrefaction; this favors the deoxygenation reactions and makes them faster through CO2 liberation during the pyrolysis process. The microporous surface area shows a significant increase with higher pyrolysis temperatures, as a product of the continuous carbonization reactions, allowing more active sites for CO2 removal. Pyrolysis temperature is a key factor in CO2 adsorption capacity, leading to a CO2 adsorption capacity of up to 75 mg/gCO2 for biochar obtained at 700 °C from non-torrefied palm kernel shell (Char700). Activated carbon obtained from torrefied palm kernel shell at 280 °C (T280-CHAR700-AC) exhibited the highest CO2 adsorption capacity (101.9 mg/gCO2). Oxygen-containing functional groups have a direct impact on CO2 adsorption performance due to electron interactions between CO2 and these functional groups. These findings could provide a new experimental approach for obtaining optimal adsorbent materials exclusively derived from thermochemical conversion processes.
Marrodán, Lorena; Pérez, Teresa; Alzueta, María U
Conversion of methylamine in a flow reactor and its interaction with NO Artículo de revista
En: Combustion and Flame, vol. 259, pp. 113130, 2024, ISSN: 0010-2180.
@article{marrodan_conversion_2024,
title = {Conversion of methylamine in a flow reactor and its interaction with NO},
author = {Lorena Marrodán and Teresa Pérez and María U Alzueta},
url = {https://www.sciencedirect.com/science/article/pii/S0010218023005059},
doi = {10.1016/j.combustflame.2023.113130},
issn = {0010-2180},
year = {2024},
date = {2024-01-01},
urldate = {2024-01-01},
journal = {Combustion and Flame},
volume = {259},
pages = {113130},
abstract = {The conversion of methylamine (CH3NH2, 1000 ppm) has been studied in an atmospheric-pressure flow reactor from both experimental and modeling points of view. Several values of the oxygen excess ratio (λ), from pyrolysis to fuel-lean conditions, have been tested, and a large number of different species have been quantified experimentally by three different diagnostic techniques: gas chromatography, Fourier Transform Infra-red spectroscopy (FTIR) and an infra-red NO analyzer. For the first time, the influence of NO addition (500 and 1000 ppm) on the stoichiometric oxidation of methylamine has also been experimentally evaluated, and the main products of such interaction have been identified. Results indicate that, unlike the little influence of oxygen availability on methylamine conversion, the presence of different concentrations of NO promotes methylamine oxidation at lower temperatures. A literature mechanism has been validated against the present experimental data since previous experimental works under these conditions are scarce. The largest discrepancies have been found for the formation of NH3 and NO as oxidation products, which are under and overestimated by the model, respectively, and under pyrolysis conditions, where modification of the kinetic parameters for the reaction CH2NH2 ⇌ CH2NH + H from the original mechanism notably improves the agreement between experimental and simulated results.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The conversion of methylamine (CH3NH2, 1000 ppm) has been studied in an atmospheric-pressure flow reactor from both experimental and modeling points of view. Several values of the oxygen excess ratio (λ), from pyrolysis to fuel-lean conditions, have been tested, and a large number of different species have been quantified experimentally by three different diagnostic techniques: gas chromatography, Fourier Transform Infra-red spectroscopy (FTIR) and an infra-red NO analyzer. For the first time, the influence of NO addition (500 and 1000 ppm) on the stoichiometric oxidation of methylamine has also been experimentally evaluated, and the main products of such interaction have been identified. Results indicate that, unlike the little influence of oxygen availability on methylamine conversion, the presence of different concentrations of NO promotes methylamine oxidation at lower temperatures. A literature mechanism has been validated against the present experimental data since previous experimental works under these conditions are scarce. The largest discrepancies have been found for the formation of NH3 and NO as oxidation products, which are under and overestimated by the model, respectively, and under pyrolysis conditions, where modification of the kinetic parameters for the reaction CH2NH2 ⇌ CH2NH + H from the original mechanism notably improves the agreement between experimental and simulated results.
2023
Artículos de revista
Alzueta, María U; Salas, Iris; Hashemi, Hamid; Glarborg, Peter
CO assisted NH3 oxidation Artículo de revista
En: Combustion and Flame, vol. 257, pp. 112438, 2023, ISSN: 0010-2180.
@article{alzueta_co_2023,
title = {CO assisted NH3 oxidation},
author = {María U Alzueta and Iris Salas and Hamid Hashemi and Peter Glarborg},
url = {https://www.sciencedirect.com/science/article/pii/S0010218022004552},
doi = {10.1016/j.combustflame.2022.112438},
issn = {0010-2180},
year = {2023},
date = {2023-11-01},
urldate = {2023-11-01},
journal = {Combustion and Flame},
volume = {257},
pages = {112438},
series = {James A. Miller Special Commemorative Issue},
abstract = {In the present work, experimental results from the literature on the effect of CO on the NH3 oxidation in the absence and presence of NO are supplemented with novel flow reactor results and interpreted in terms of a detailed chemical kinetic model. The kinetic model provides a satisfactory prediction over a wide range of conditions for oxidation in flow reactors and for flame speeds of CO/NH3. With increasing levels of CO, the generation of chain carriers gradually shifts from being controlled by the amine reaction subset to being dominated by the oxidation chemistry of CO, facilitating reaction at lower temperatures. At elevated temperature, presence of CO causes a change in selectivity of NH3 oxidation from N2 to NO. The present work provides a thorough evaluation of the amine subset of the reaction mechanism for the investigated conditions and offers a kinetic model that reliably can be used for post-flame oxidation modeling in engines and gas turbines fueled by ammonia with a hydrocarbon or alcohol as co-fuel.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the present work, experimental results from the literature on the effect of CO on the NH3 oxidation in the absence and presence of NO are supplemented with novel flow reactor results and interpreted in terms of a detailed chemical kinetic model. The kinetic model provides a satisfactory prediction over a wide range of conditions for oxidation in flow reactors and for flame speeds of CO/NH3. With increasing levels of CO, the generation of chain carriers gradually shifts from being controlled by the amine reaction subset to being dominated by the oxidation chemistry of CO, facilitating reaction at lower temperatures. At elevated temperature, presence of CO causes a change in selectivity of NH3 oxidation from N2 to NO. The present work provides a thorough evaluation of the amine subset of the reaction mechanism for the investigated conditions and offers a kinetic model that reliably can be used for post-flame oxidation modeling in engines and gas turbines fueled by ammonia with a hydrocarbon or alcohol as co-fuel.
Alzueta, María U; Abián, María; Elvira, I.; Mercader, Víctor D; Sieso, L.
Unraveling the NO reduction mechanisms occurring during the combustion of NH3/CH4 mixtures Artículo de revista
En: Combustion and Flame, vol. 257, pp. 112531, 2023, ISSN: 0010-2180.
@article{alzueta_unraveling_2023,
title = {Unraveling the NO reduction mechanisms occurring during the combustion of NH3/CH4 mixtures},
author = {María U Alzueta and María Abián and I. Elvira and Víctor D Mercader and L. Sieso},
url = {https://www.sciencedirect.com/science/article/pii/S0010218022005405},
doi = {10.1016/j.combustflame.2022.112531},
issn = {0010-2180},
year = {2023},
date = {2023-11-01},
urldate = {2023-11-01},
journal = {Combustion and Flame},
volume = {257},
pages = {112531},
series = {James A. Miller Special Commemorative Issue},
abstract = {The interaction between NH3, CH4 and NO under different conditions of interest for combustion applications is analyzed, from both experimental and kinetic modeling points of view. Reduction of NO by reburn and by SNCR (selective non-catalytic reduction) strategies is evaluated, through an extense systematic study of the influence of the main variables of interest for NO reduction, by means of laboratory flow-reactor experiments at atmospheric pressure. Variables analyzed include: temperature in the 700 to 1500 K range, air stoichiometry from fuel-rich (λ = 0.31) to fuel-lean conditions (λ = 2.21), NH3/CH4 ratio in the 0.4 to 10.78 range, NH3/NO ratio in the 0.49 to 2.60 range the, and CH4/NO ratio in the 0.37 to 1.98 range, dilution level, and bath gas by using nitrogen and argon, the latter to allow the precise determination of nitrogen balances. Results are interpreted using a literature reaction mechanism, together with reaction pathway analysis tools, and the main findings are discussed. Results indicate that ammonia promotes the conversion of methane, while methane inhibits the conversion of ammonia, due to the competition for radicals of both components in the mixture. The interaction of ammonia and methane implies that the reduction of NO by NH3/CH4 mixtures is comparatively lower than the reduction obtained by NH3 and CH4 independently. Implications for practical applications of the reduction of NO by the studied mixtures are discussed.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The interaction between NH3, CH4 and NO under different conditions of interest for combustion applications is analyzed, from both experimental and kinetic modeling points of view. Reduction of NO by reburn and by SNCR (selective non-catalytic reduction) strategies is evaluated, through an extense systematic study of the influence of the main variables of interest for NO reduction, by means of laboratory flow-reactor experiments at atmospheric pressure. Variables analyzed include: temperature in the 700 to 1500 K range, air stoichiometry from fuel-rich (λ = 0.31) to fuel-lean conditions (λ = 2.21), NH3/CH4 ratio in the 0.4 to 10.78 range, NH3/NO ratio in the 0.49 to 2.60 range the, and CH4/NO ratio in the 0.37 to 1.98 range, dilution level, and bath gas by using nitrogen and argon, the latter to allow the precise determination of nitrogen balances. Results are interpreted using a literature reaction mechanism, together with reaction pathway analysis tools, and the main findings are discussed. Results indicate that ammonia promotes the conversion of methane, while methane inhibits the conversion of ammonia, due to the competition for radicals of both components in the mixture. The interaction of ammonia and methane implies that the reduction of NO by NH3/CH4 mixtures is comparatively lower than the reduction obtained by NH3 and CH4 independently. Implications for practical applications of the reduction of NO by the studied mixtures are discussed.
Villasana, Yanet; Armenise, Sabino; Ábrego, Javier; Atienza-Martínez, María; Hablich, Karina; Bimbela, Fernando; Cornejo, Alfonso; Gandía, Luis M.
Exploring a Low-Cost Valorization Route for Amazonian Cocoa Pod Husks through Thermochemical and Catalytic Upgrading of Pyrolysis Vapors Artículo de revista
En: ACS Omega, vol. 8, no 40, pp. 37610–37621, 2023, (Publisher: American Chemical Society).
@article{villasana_exploring_2023,
title = {Exploring a Low-Cost Valorization Route for Amazonian Cocoa Pod Husks through Thermochemical and Catalytic Upgrading of Pyrolysis Vapors},
author = {Yanet Villasana and Sabino Armenise and Javier Ábrego and María Atienza-Martínez and Karina Hablich and Fernando Bimbela and Alfonso Cornejo and Luis M. Gandía},
url = {https://doi.org/10.1021/acsomega.3c06672},
doi = {10.1021/acsomega.3c06672},
year = {2023},
date = {2023-10-01},
urldate = {2023-10-01},
journal = {ACS Omega},
volume = {8},
number = {40},
pages = {37610–37621},
abstract = {Ecuador as an international leader in the production of cocoa beans produced more than 300 000 tons in 2021; hence, the management and valorization of the 2 MM tons of waste generated annually by this industry have a strategic and socioeconomic value. Consequently, appropriate technologies to avoid environmental problems and promote sustainable development and the bioeconomy, especially considering that this is a megadiverse country, are of the utmost relevance. For this reason, we explored a low-cost pyrolysis route for valorizing cocoa pod husks from Ecuador’s Amazonian region, aiming at producing pyrolysis liquids (bio-oil), biochar, and gas as an alternative chemical source from cocoa residues in the absence of hydrogen. Downstream catalytic processing of hot pyrolysis vapors using Mo- and/or Ni-based catalysts and standalone γ-Al2O3 was applied for obtaining upgraded bio-oils in a laboratory-scale fixed bed reactor, at 500 °C in a N2 atmosphere. As a result, bimetallic catalysts increased the bio-oil aqueous phase yield by 6.6%, at the expense of the organic phase due to cracking reactions according to nuclear magnetic resonance (NMR) and gas chromatography–mass spectrometry (GC–MS) results. Overall product yield remained constant, in comparison to pyrolysis without any downstream catalytic treatment (bio-oil ∼39.0–40.0 wt % and permanent gases 24.6–26.6 wt %). Ex situ reduced and passivated MoNi/γ-Al2O3 led to the lowest organic phase and highest aqueous phase yields. The product distribution between the two liquid phases was also modified by the catalytic upgrading experiments carried out, according to heteronuclear single-quantum correlation (HSQC), total correlation spectroscopy (TOCSY), and NMR analyses. The detailed composition distribution reported here shows the chemical production potential of this residue and serves as a starting point for subsequent valorizing technologies and/or processes in the food and nonfood industry beneficiating society, environment, economy, and research.},
note = {Publisher: American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ecuador as an international leader in the production of cocoa beans produced more than 300 000 tons in 2021; hence, the management and valorization of the 2 MM tons of waste generated annually by this industry have a strategic and socioeconomic value. Consequently, appropriate technologies to avoid environmental problems and promote sustainable development and the bioeconomy, especially considering that this is a megadiverse country, are of the utmost relevance. For this reason, we explored a low-cost pyrolysis route for valorizing cocoa pod husks from Ecuador’s Amazonian region, aiming at producing pyrolysis liquids (bio-oil), biochar, and gas as an alternative chemical source from cocoa residues in the absence of hydrogen. Downstream catalytic processing of hot pyrolysis vapors using Mo- and/or Ni-based catalysts and standalone γ-Al2O3 was applied for obtaining upgraded bio-oils in a laboratory-scale fixed bed reactor, at 500 °C in a N2 atmosphere. As a result, bimetallic catalysts increased the bio-oil aqueous phase yield by 6.6%, at the expense of the organic phase due to cracking reactions according to nuclear magnetic resonance (NMR) and gas chromatography–mass spectrometry (GC–MS) results. Overall product yield remained constant, in comparison to pyrolysis without any downstream catalytic treatment (bio-oil ∼39.0–40.0 wt % and permanent gases 24.6–26.6 wt %). Ex situ reduced and passivated MoNi/γ-Al2O3 led to the lowest organic phase and highest aqueous phase yields. The product distribution between the two liquid phases was also modified by the catalytic upgrading experiments carried out, according to heteronuclear single-quantum correlation (HSQC), total correlation spectroscopy (TOCSY), and NMR analyses. The detailed composition distribution reported here shows the chemical production potential of this residue and serves as a starting point for subsequent valorizing technologies and/or processes in the food and nonfood industry beneficiating society, environment, economy, and research.
Alvira, Darío; Antorán, Daniel; Vidal, Mariano; Sebastián, Víctor; Manyà, Joan Josep
Vine Shoots-Derived Hard Carbons as Anodes for Sodium-Ion Batteries: Role of Annealing Temperature in Regulating Their Structure and Morphology Artículo de revista
En: Batteries & Supercaps, vol. n/a, no n/a, pp. e202300233, 2023, ISSN: 2566-6223, (_eprint: https://onlinelibrary.wiley.com/doi/pdf/10.1002/batt.202300233).
@article{alvira_vine_nodate,
title = {Vine Shoots-Derived Hard Carbons as Anodes for Sodium-Ion Batteries: Role of Annealing Temperature in Regulating Their Structure and Morphology},
author = {Darío Alvira and Daniel Antorán and Mariano Vidal and Víctor Sebastián and Joan Josep Manyà},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/batt.202300233},
doi = {10.1002/batt.202300233},
issn = {2566-6223},
year = {2023},
date = {2023-08-02},
urldate = {2023-08-02},
journal = {Batteries & Supercaps},
volume = {n/a},
number = {n/a},
pages = {e202300233},
abstract = {Sodium-ion batteries (SIBs) are considered one of the most promising large-scale and low-cost energy storage systems due to the abundance and low price of sodium. Herein, hard carbons from a sustainable biomass feedstock (vine shoots) were synthesized via a simple two-step carbonization process at different highest temperatures to be used as anodes in SIBs. The hard carbon produced at 1200 °C delivered the highest reversible capacity (270 mAh g−1 at 0.03 A g−1, with an acceptable initial coulombic efficiency of 71 %) since a suitable balance between the pseudographitic domains growth and the retention of microporosity, defects, and functional groups was achieved. A prominent cycling stability with a capacity retention of 97 % over 315 cycles was also attained. Comprehensive characterization unraveled a three-stage sodium storage mechanism based on adsorption, intercalation, and filling of pores. A remarkable specific capacity underestimation of up to 38 % was also found when a two-electrode half-cell configuration was employed to measure the rate performance. To avoid this systematic error caused by the counter/reference electrode polarization, we strongly recommend the use of a three-electrode setup or a full-cell configuration to correctly evaluate the anode response at moderate and high current rates.},
note = {_eprint: https://onlinelibrary.wiley.com/doi/pdf/10.1002/batt.202300233},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sodium-ion batteries (SIBs) are considered one of the most promising large-scale and low-cost energy storage systems due to the abundance and low price of sodium. Herein, hard carbons from a sustainable biomass feedstock (vine shoots) were synthesized via a simple two-step carbonization process at different highest temperatures to be used as anodes in SIBs. The hard carbon produced at 1200 °C delivered the highest reversible capacity (270 mAh g−1 at 0.03 A g−1, with an acceptable initial coulombic efficiency of 71 %) since a suitable balance between the pseudographitic domains growth and the retention of microporosity, defects, and functional groups was achieved. A prominent cycling stability with a capacity retention of 97 % over 315 cycles was also attained. Comprehensive characterization unraveled a three-stage sodium storage mechanism based on adsorption, intercalation, and filling of pores. A remarkable specific capacity underestimation of up to 38 % was also found when a two-electrode half-cell configuration was employed to measure the rate performance. To avoid this systematic error caused by the counter/reference electrode polarization, we strongly recommend the use of a three-electrode setup or a full-cell configuration to correctly evaluate the anode response at moderate and high current rates.
Afailal, Zainab; Gil-Lalaguna, Noemí; Macías, Robert J.; Gonzalo, Alberto; Sánchez, José Luis
Production of Antioxidant Additives and High-quality Activated Biochar from Pyrolysis of Argan Shells Artículo de revista
En: BioEnergy Research, 2023, ISSN: 1939-1242.
@article{afailal_production_2023,
title = {Production of Antioxidant Additives and High-quality Activated Biochar from Pyrolysis of Argan Shells},
author = {Zainab Afailal and Noemí Gil-Lalaguna and Robert J. Macías and Alberto Gonzalo and José Luis Sánchez},
url = {https://doi.org/10.1007/s12155-023-10652-0},
doi = {10.1007/s12155-023-10652-0},
issn = {1939-1242},
year = {2023},
date = {2023-08-01},
urldate = {2023-08-01},
journal = {BioEnergy Research},
abstract = {An integral valorization route based on a pyrolysis process has been proposed to find sustainable applications for argan shells focused on the simultaneous production of activated biochar and antioxidant additives from bio-oil. The bio-oil obtained in the pyrolysis process was furtherly upgraded (hydrothermal treatment and extraction process) to obtain antioxidant additives. On the other hand, the biochar obtained in the pyrolysis was used as a feedstock to produce high-quality activated biochar (by physical activation with CO2). The increase in the pyrolysis temperature (350–550 °C) hardly affected the pyrolysis products distribution (biochar yields of 28–34 wt.% and bio-oil yields between 51 and 55 wt.%), but it led to a slight decrease in the content of phenolic monomers extracted from bio-oil (from 63 wt.% at 350 °C to 53 wt.% at 550 °C). When these extracted fractions were blended with biodiesel (<1 wt.%), improvements of up to 300% in biodiesel oxidation stability were attained. The hydrothermal treatment of the bio-oil did not show noteworthy effects either on the production or antioxidant performance of the extracted fractions if compared with the fractions extracted from the raw bio-oil. Regarding the valorization of argan shells biochar, the activated biochar prepared from it showed considerable potential as an adsorbent material for CO2 (125 mg of CO2 per g of the activated biochar) or phenols (complete removal of 99.6% in 4 h of contact time). It was characterized by a high BET surface area (up to 1500 m2/g), a high carbon content (up to 95 wt.%), low ash content (around 2 wt.%), and a pH of around 8.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
An integral valorization route based on a pyrolysis process has been proposed to find sustainable applications for argan shells focused on the simultaneous production of activated biochar and antioxidant additives from bio-oil. The bio-oil obtained in the pyrolysis process was furtherly upgraded (hydrothermal treatment and extraction process) to obtain antioxidant additives. On the other hand, the biochar obtained in the pyrolysis was used as a feedstock to produce high-quality activated biochar (by physical activation with CO2). The increase in the pyrolysis temperature (350–550 °C) hardly affected the pyrolysis products distribution (biochar yields of 28–34 wt.% and bio-oil yields between 51 and 55 wt.%), but it led to a slight decrease in the content of phenolic monomers extracted from bio-oil (from 63 wt.% at 350 °C to 53 wt.% at 550 °C). When these extracted fractions were blended with biodiesel (<1 wt.%), improvements of up to 300% in biodiesel oxidation stability were attained. The hydrothermal treatment of the bio-oil did not show noteworthy effects either on the production or antioxidant performance of the extracted fractions if compared with the fractions extracted from the raw bio-oil. Regarding the valorization of argan shells biochar, the activated biochar prepared from it showed considerable potential as an adsorbent material for CO2 (125 mg of CO2 per g of the activated biochar) or phenols (complete removal of 99.6% in 4 h of contact time). It was characterized by a high BET surface area (up to 1500 m2/g), a high carbon content (up to 95 wt.%), low ash content (around 2 wt.%), and a pH of around 8.
Antorán, Daniel; Alvira, Darío; Peker, M. Eser; Malón, Hugo; Irusta, Silvia; Sebastián, Víctor; Manyà, Joan Josep
Waste Hemp Hurd as a Sustainable Precursor for Affordable and High-Rate Hard Carbon-Based Anodes in Sodium-Ion Batteries Artículo de revista
En: Energy Fuels, vol. 37, no 13, pp. 9650–9661, 2023, ISSN: 0887-0624, (Publisher: American Chemical Society).
@article{antoran_waste_2023,
title = {Waste Hemp Hurd as a Sustainable Precursor for Affordable and High-Rate Hard Carbon-Based Anodes in Sodium-Ion Batteries},
author = {Daniel Antorán and Darío Alvira and M. Eser Peker and Hugo Malón and Silvia Irusta and Víctor Sebastián and Joan Josep Manyà},
url = {https://doi.org/10.1021/acs.energyfuels.3c01040},
doi = {10.1021/acs.energyfuels.3c01040},
issn = {0887-0624},
year = {2023},
date = {2023-07-01},
urldate = {2023-07-01},
journal = {Energy Fuels},
volume = {37},
number = {13},
pages = {9650–9661},
abstract = {The present study reports the promising potential of waste hemp-hurd-derived carbons as anodes in sodium-ion batteries (SIBs). Carbons were produced through an easily scalable process consisting of pyrolysis of raw biomass at 500 °C followed by mild chemical activation of the resulting char through wet impregnation with K2CO3 and subsequent heating of the solid phase (after filtration and drying) up to 700 or 800 °C under nitrogen. The best electrochemical performance was observed for the hard carbon activated at a char-K2CO3 mass ratio of 1:4 and heated up to 800 °C, which exhibited an excellent initial coulombic efficiency (73%) and achieved reversible charge capacities of 267 and 79 mAh g–1 at 0.03 and 1 A g–1, respectively. This material also exhibited an impressive cyclic stability and rate capability, with a capacity retention of 96% after 300 cycles at a current density of 2 A g–1. This more than satisfactory performance could be related to the textural and structural features of the hard carbon, which include moderate interconnected microporosity (with pore sizes below 1 nm), an appropriate concentration of defects in the carbon structure, relatively large interplanar distances, and a certain number of closed pores.},
note = {Publisher: American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The present study reports the promising potential of waste hemp-hurd-derived carbons as anodes in sodium-ion batteries (SIBs). Carbons were produced through an easily scalable process consisting of pyrolysis of raw biomass at 500 °C followed by mild chemical activation of the resulting char through wet impregnation with K2CO3 and subsequent heating of the solid phase (after filtration and drying) up to 700 or 800 °C under nitrogen. The best electrochemical performance was observed for the hard carbon activated at a char-K2CO3 mass ratio of 1:4 and heated up to 800 °C, which exhibited an excellent initial coulombic efficiency (73%) and achieved reversible charge capacities of 267 and 79 mAh g–1 at 0.03 and 1 A g–1, respectively. This material also exhibited an impressive cyclic stability and rate capability, with a capacity retention of 96% after 300 cycles at a current density of 2 A g–1. This more than satisfactory performance could be related to the textural and structural features of the hard carbon, which include moderate interconnected microporosity (with pore sizes below 1 nm), an appropriate concentration of defects in the carbon structure, relatively large interplanar distances, and a certain number of closed pores.
Raso, Raquel; Lete, Alejandro; García, Lucía; Ruiz, Joaquín; Oliva, Miriam; Arauzo, Jesús
Aqueous phase hydrogenolysis of glycerol with in situ generated hydrogen over Ni/Al3Fe1 catalyst: effect of the calcination temperature Artículo de revista
En: RSC Advances, vol. 13, no 8, pp. 5483–5495, 2023, ISSN: 2046-2069, (Publisher: The Royal Society of Chemistry).
@article{raso_aqueous_2023,
title = {Aqueous phase hydrogenolysis of glycerol with in situ generated hydrogen over Ni/Al3Fe1 catalyst: effect of the calcination temperature},
author = {Raquel Raso and Alejandro Lete and Lucía García and Joaquín Ruiz and Miriam Oliva and Jesús Arauzo},
url = {https://pubs.rsc.org/en/content/articlelanding/2023/ra/d2ra07929a},
doi = {10.1039/D2RA07929A},
issn = {2046-2069},
year = {2023},
date = {2023-02-01},
urldate = {2023-02-01},
journal = {RSC Advances},
volume = {13},
number = {8},
pages = {5483–5495},
abstract = {The present work studied the influence of the calcination temperature on the aqueous phase hydrogenolysis of glycerol with in situ generated hydrogen over a Ni/Al3Fe1 catalyst. The Ni/Al3Fe1 catalyst was synthesized by the co-precipitation method at 28 mol% of Ni (Ni/(Ni + Al + Fe)) and a molar ratio of Al/Fe of 3/1. The prepared catalyst was calcined at different temperatures (500–750 °C). The obtained samples were tested for the aqueous phase hydrogenolysis (APH) of glycerol and characterized by several analytical techniques (ICP-OES, H2-TPR, XRD, N2-physisorption, NH3-TPD, STEM, FESEM, and TGA). The catalyst calcined at 625 °C was selected as the best sample due to its high acidity, metal dispersion, and catalytic activity; 1,2-propanediol was the highest carbon selectivity product. In addition, it experienced lower metal leaching than the catalyst calcined at 500 °C.},
note = {Publisher: The Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The present work studied the influence of the calcination temperature on the aqueous phase hydrogenolysis of glycerol with in situ generated hydrogen over a Ni/Al3Fe1 catalyst. The Ni/Al3Fe1 catalyst was synthesized by the co-precipitation method at 28 mol% of Ni (Ni/(Ni + Al + Fe)) and a molar ratio of Al/Fe of 3/1. The prepared catalyst was calcined at different temperatures (500–750 °C). The obtained samples were tested for the aqueous phase hydrogenolysis (APH) of glycerol and characterized by several analytical techniques (ICP-OES, H2-TPR, XRD, N2-physisorption, NH3-TPD, STEM, FESEM, and TGA). The catalyst calcined at 625 °C was selected as the best sample due to its high acidity, metal dispersion, and catalytic activity; 1,2-propanediol was the highest carbon selectivity product. In addition, it experienced lower metal leaching than the catalyst calcined at 500 °C.
Afailal, Zainab; Gil-Lalaguna, Noemí; Fonts, Isabel; Gonzalo, Alberto; Arauzo, Jesús; Sánchez, José Luis
Thermochemical valorization of argan nutshells: Torrefaction and air–steam gasification Artículo de revista
En: Fuel, vol. 332, pp. 125970, 2023, ISSN: 0016-2361.
@article{Afailal2023,
title = {Thermochemical valorization of argan nutshells: Torrefaction and air–steam gasification},
author = {Zainab Afailal and Noemí Gil-Lalaguna and Isabel Fonts and Alberto Gonzalo and Jesús Arauzo and José Luis Sánchez},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0016236122027946},
doi = {10.1016/J.FUEL.2022.125970},
issn = {0016-2361},
year = {2023},
date = {2023-01-01},
urldate = {2023-01-01},
journal = {Fuel},
volume = {332},
pages = {125970},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Balmuk, Gizem; Videgain, María; Manyà, Joan Josep; Duman, Gozde; Yanik, Jale
Effects of pyrolysis temperature and pressure on agronomic properties of biochar Artículo de revista
En: Journal of Analytical and Applied Pyrolysis, vol. 169, no May, pp. 105858, 2023, ISSN: 01652370.
@article{Balmuk2023,
title = {Effects of pyrolysis temperature and pressure on agronomic properties of biochar},
author = {Gizem Balmuk and María Videgain and Joan Josep Manyà and Gozde Duman and Jale Yanik},
url = {https://doi.org/10.1016/j.jaap.2022.105728 https://linkinghub.elsevier.com/retrieve/pii/S0165237023000025},
doi = {10.1016/j.jaap.2023.105858},
issn = {01652370},
year = {2023},
date = {2023-01-01},
urldate = {2023-01-01},
journal = {Journal of Analytical and Applied Pyrolysis},
volume = {169},
number = {May},
pages = {105858},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2022
Artículos de revista
Alvira, Darío; Antorán, Daniel; Manyà, Joan Josep
Assembly and electrochemical testing of renewable carbon-based anodes in SIBs: A practical guide Artículo de revista
En: Journal of Energy Chemistry, vol. 75, pp. 457–477, 2022, ISSN: 2095-4956.
@article{Alvira2022b,
title = {Assembly and electrochemical testing of renewable carbon-based anodes in SIBs: A practical guide},
author = {Darío Alvira and Daniel Antorán and Joan Josep Manyà},
url = {https://linkinghub.elsevier.com/retrieve/pii/S209549562200479X},
doi = {10.1016/J.JECHEM.2022.09.002},
issn = {2095-4956},
year = {2022},
date = {2022-12-01},
urldate = {2022-12-01},
journal = {Journal of Energy Chemistry},
volume = {75},
pages = {457--477},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Alvira, Darío; Antorán, Daniel; Manyà, Joan Josep
Plant-derived hard carbon as anode for sodium-ion batteries: A comprehensive review to guide interdisciplinary research Artículo de revista
En: 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 Artículo de revista
En: 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}
}
Gil-Lalaguna, Noemí; Navarro-Gil, África; Carstensen, Hans-Heinrich; Ruiz, Joaquín; Fonts, Isabel; Ceamanos, Jesús; Murillo, María Benita; Gea, Gloria
CO2 adsorption on pyrolysis char from protein-containing livestock waste: How do proteins affect? Artículo de revista
En: Science of The Total Environment, vol. 846, pp. 157395, 2022, ISSN: 0048-9697.
@article{Gil-Lalaguna2022,
title = {CO2 adsorption on pyrolysis char from protein-containing livestock waste: How do proteins affect?},
author = {Noemí Gil-Lalaguna and África Navarro-Gil and Hans-Heinrich Carstensen and Joaquín Ruiz and Isabel Fonts and Jesús Ceamanos and María Benita Murillo and Gloria Gea},
doi = {10.1016/J.SCITOTENV.2022.157395},
issn = {0048-9697},
year = {2022},
date = {2022-11-01},
urldate = {2022-11-01},
journal = {Science of The Total Environment},
volume = {846},
pages = {157395},
publisher = {Elsevier},
abstract = {Biogas generation through anaerobic digestion provides an interesting opportunity to valorize some types of animal waste materials whose management is increasingly complicated by legal and environmental restrictions. To successfully expand anaerobic digestion in livestock areas, operational issues such as digestate management must be addressed in an economical and environmentally sustainable way. Biogas upgrading is another necessary stage before intending it to add-value applications. The high concentration of CO2 in biogas results in a reduced caloric value, so the removal of CO2 would be beneficial for most end-users. The current work evaluates the CO2 uptake properties (thermogravimetry study) of low-cost adsorbent materials produced from the animal wastes generated in the livestock area itself, specifically via pyrolysis of poorly biodegradable materials, such as meat and bone meal, and the digestate from manure anaerobic digestion. Therefore, the new element in this study with respect to other studies found in the literature related to biochar-based CO2 adsorption performance is the presence of high content of pyrolyzed proteins in the adsorbent material. In this work, pyrolyzed chars from both meat and bone meal and co-digested manure have been proven to adsorb CO2 reversibly, and also the chars produced from their representative pure proteins (collagen and soybean protein), which were evaluated as model compounds for a better understanding of the individual performance of proteins. The ultra-microporosity developed in the protein chars during pyrolysis seems to be the main explanation for such CO2 uptake capacities, while neither the BET surface area nor N-functionalities on the char surface can properly explain the observed results. Although the CO2 adsorption capacities of these pristine chars (6–41.0 mg CO2/g char) are far away from data of commercially activated carbons ($sim$80 mg CO2/g char), this application opens a new via to integrate and valorize these wastes in the circular economy of the primary sector.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Biogas generation through anaerobic digestion provides an interesting opportunity to valorize some types of animal waste materials whose management is increasingly complicated by legal and environmental restrictions. To successfully expand anaerobic digestion in livestock areas, operational issues such as digestate management must be addressed in an economical and environmentally sustainable way. Biogas upgrading is another necessary stage before intending it to add-value applications. The high concentration of CO2 in biogas results in a reduced caloric value, so the removal of CO2 would be beneficial for most end-users. The current work evaluates the CO2 uptake properties (thermogravimetry study) of low-cost adsorbent materials produced from the animal wastes generated in the livestock area itself, specifically via pyrolysis of poorly biodegradable materials, such as meat and bone meal, and the digestate from manure anaerobic digestion. Therefore, the new element in this study with respect to other studies found in the literature related to biochar-based CO2 adsorption performance is the presence of high content of pyrolyzed proteins in the adsorbent material. In this work, pyrolyzed chars from both meat and bone meal and co-digested manure have been proven to adsorb CO2 reversibly, and also the chars produced from their representative pure proteins (collagen and soybean protein), which were evaluated as model compounds for a better understanding of the individual performance of proteins. The ultra-microporosity developed in the protein chars during pyrolysis seems to be the main explanation for such CO2 uptake capacities, while neither the BET surface area nor N-functionalities on the char surface can properly explain the observed results. Although the CO2 adsorption capacities of these pristine chars (6–41.0 mg CO2/g char) are far away from data of commercially activated carbons ($sim$80 mg CO2/g char), this application opens a new via to integrate and valorize these wastes in the circular economy of the primary sector.
Marrodán, Lorena; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Experimental and Modeling Evaluation of Dimethoxymethane as an Additive for High-Pressure Acetylene Oxidation Artículo de revista
En: The Journal of Physical Chemistry A, vol. 2022, pp. 6263, 2022, ISSN: 1089-5639.
@article{Marrodan2022b,
title = {Experimental and Modeling Evaluation of Dimethoxymethane as an Additive for High-Pressure Acetylene Oxidation},
author = {Lorena Marrodán and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://pubs.acs.org/doi/full/10.1021/acs.jpca.2c03130},
doi = {10.1021/ACS.JPCA.2C03130},
issn = {1089-5639},
year = {2022},
date = {2022-09-01},
urldate = {2022-09-01},
journal = {The Journal of Physical Chemistry A},
volume = {2022},
pages = {6263},
publisher = {American Chemical Society},
abstract = {The high-pressure oxidation of acetylene–dimethoxymethane (C2H2–DMM) mixtures in a tubular flow reactor has been analyzed from both experimental and modeling perspectives. In addition to pressure (...},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The high-pressure oxidation of acetylene–dimethoxymethane (C2H2–DMM) mixtures in a tubular flow reactor has been analyzed from both experimental and modeling perspectives. In addition to pressure (…
Bourgalais, Jérémy; Carstensen, Hans-Heinrich; Herbinet, Olivier; Garcia, Gustavo A.; Arnoux, Philippe; Tran, Luc-Sy; Vanhove, Guillaume; Nahon, Laurent; Hochlaf, Majdi; Battin-Leclerc, Frédérique
Product Identification in the Low-Temperature Oxidation of Cyclohexane Using a Jet-Stirred Reactor in Combination with SVUV-PEPICO Analysis and Theoretical Quantum Calculations Artículo de revista
En: The Journal of Physical Chemistry A, vol. 126, no 34, pp. 5784–5799, 2022, ISSN: 1089-5639.
@article{Bourgalais2022,
title = {Product Identification in the Low-Temperature Oxidation of Cyclohexane Using a Jet-Stirred Reactor in Combination with SVUV-PEPICO Analysis and Theoretical Quantum Calculations},
author = {Jérémy Bourgalais and Hans-Heinrich Carstensen and Olivier Herbinet and Gustavo A. Garcia and Philippe Arnoux and Luc-Sy Tran and Guillaume Vanhove and Laurent Nahon and Majdi Hochlaf and Frédérique Battin-Leclerc},
url = {https://pubs.acs.org/doi/full/10.1021/acs.jpca.2c04490},
doi = {10.1021/ACS.JPCA.2C04490/ASSET/IMAGES/MEDIUM/JP2C04490_0020.GIF},
issn = {1089-5639},
year = {2022},
date = {2022-09-01},
journal = {The Journal of Physical Chemistry A},
volume = {126},
number = {34},
pages = {5784--5799},
publisher = {American Chemical Society (ACS)},
abstract = {Cyclohexane oxidation chemistry was investigated using a near-atmospheric pressure jet-stirred reactor at T = 570 K and equivalence ratio ϕ = 0.8. Numerous intermediates including hydroperoxides an...},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cyclohexane oxidation chemistry was investigated using a near-atmospheric pressure jet-stirred reactor at T = 570 K and equivalence ratio ϕ = 0.8. Numerous intermediates including hydroperoxides an…
Tran, Luc Sy; Herbinet, Olivier; Carstensen, Hans-Heinrich; Battin-Leclerc, Frédérique
Chemical kinetics of cyclic ethers in combustion Artículo de revista
En: Progress in Energy and Combustion Science, vol. 92, pp. 101019, 2022, ISSN: 0360-1285.
@article{Tran2022,
title = {Chemical kinetics of cyclic ethers in combustion},
author = {Luc Sy Tran and Olivier Herbinet and Hans-Heinrich Carstensen and Frédérique Battin-Leclerc},
doi = {10.1016/J.PECS.2022.101019},
issn = {0360-1285},
year = {2022},
date = {2022-09-01},
urldate = {2022-09-01},
journal = {Progress in Energy and Combustion Science},
volume = {92},
pages = {101019},
publisher = {Pergamon},
abstract = {Cyclic Ethers (CEs) belong to a class of compounds of importance to understand the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of oxygenated biofuels. This article, divided in six parts, aims at systematically analyzing how up-to-date experimental and theoretical methods were applied to unveil the gas-phase oxidation chemistry of these compounds. The first part gives a brief overview on the significance of CEs as intermediates formed during alkane low-temperature oxidation summarizing its generally accepted chemical mechanism. This part also addresses the role of CEs as potential biofuels derived from lignocellulosic biomass and discusses the production methods of these molecules and their combustion performances in engine. The second part presents the different theoretical methods dedicated to calculate the electronic structure, thermochemical and kinetic data of CEs. The third part introduces the experimental methods used in studies related to CEs with a special focus on mass spectrometry and gas chromatography. The fourth part reviews the experimental and modeling studies related to CE formation during the low-temperature oxidation of linear, branched, cyclic alkanes, alkylbenzenes, olefins, and oxygenated fuels. The fifth part analyses the published work concerning the CE degradation chemistry and highlights the dominant involved reactions. To finish, the sixth part concludes and proposes future research directions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cyclic Ethers (CEs) belong to a class of compounds of importance to understand the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of oxygenated biofuels. This article, divided in six parts, aims at systematically analyzing how up-to-date experimental and theoretical methods were applied to unveil the gas-phase oxidation chemistry of these compounds. The first part gives a brief overview on the significance of CEs as intermediates formed during alkane low-temperature oxidation summarizing its generally accepted chemical mechanism. This part also addresses the role of CEs as potential biofuels derived from lignocellulosic biomass and discusses the production methods of these molecules and their combustion performances in engine. The second part presents the different theoretical methods dedicated to calculate the electronic structure, thermochemical and kinetic data of CEs. The third part introduces the experimental methods used in studies related to CEs with a special focus on mass spectrometry and gas chromatography. The fourth part reviews the experimental and modeling studies related to CE formation during the low-temperature oxidation of linear, branched, cyclic alkanes, alkylbenzenes, olefins, and oxygenated fuels. The fifth part analyses the published work concerning the CE degradation chemistry and highlights the dominant involved reactions. To finish, the sixth part concludes and proposes future research directions.
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 Artículo de revista
En: 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}
}