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PUBLICATIONS
2019
Colom-Díaz, Juan Manuel; Abián, María; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Influence of pressure on H2S oxidation. Experiments and kinetic modeling Journal Article
In: Fuel, vol. 258, pp. 116145, 2019, ISSN: 00162361.
@article{Colom-Diaz2019b,
title = {Influence of pressure on H2S oxidation. Experiments and kinetic modeling},
author = {Juan Manuel Colom-Díaz and María Abián and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1016/j.fuel.2019.116145},
issn = {00162361},
year = {2019},
date = {2019-12-01},
journal = {Fuel},
volume = {258},
pages = {116145},
publisher = {Elsevier Ltd},
abstract = {The oxidation of H2S at different manometric pressures (0.6–40 bar), in the temperature range of 500–1000 K and under slightly oxidizing conditions ($łambda$ = 2), has been studied. Experiments have been performed in a quartz tubular flow reactor. The results have shown that H2S conversion shifts to lower temperatures as the pressure increases. The kinetic model used in this work is based on a previous one proposed by the authors to describe H2S oxidation at atmospheric pressure, which has been updated with a H2/O2 reaction subset for high pressures. Model results match fairly well the experimental ones both from the present work and from the literature. The reaction pathways of H2S oxidation analyzed are similar to the ones at atmospheric pressure. The differences are found in the radicals that are involved in the oxidation process at the different pressures. For a given temperature it is shown that, under the operating conditions of this work, pressure will have a major role than the gas residence time in the oxidation rate.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The oxidation of H2S at different manometric pressures (0.6–40 bar), in the temperature range of 500–1000 K and under slightly oxidizing conditions ($łambda$ = 2), has been studied. Experiments have been performed in a quartz tubular flow reactor. The results have shown that H2S conversion shifts to lower temperatures as the pressure increases. The kinetic model used in this work is based on a previous one proposed by the authors to describe H2S oxidation at atmospheric pressure, which has been updated with a H2/O2 reaction subset for high pressures. Model results match fairly well the experimental ones both from the present work and from the literature. The reaction pathways of H2S oxidation analyzed are similar to the ones at atmospheric pressure. The differences are found in the radicals that are involved in the oxidation process at the different pressures. For a given temperature it is shown that, under the operating conditions of this work, pressure will have a major role than the gas residence time in the oxidation rate.
Abián, María; Pernía, Ricardo; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Reactivity of Standard Diesel Particulate Matter with NO2 under Different Operating Conditions Journal Article
In: Energy and Fuels, vol. 33, no. 11, pp. 11932–11940, 2019, ISSN: 15205029.
@article{Abian2019a,
title = {Reactivity of Standard Diesel Particulate Matter with NO2 under Different Operating Conditions},
author = {María Abián and Ricardo Pernía and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://pubs.acs.org/sharingguidelines},
doi = {10.1021/acs.energyfuels.9b02779},
issn = {15205029},
year = {2019},
date = {2019-11-01},
urldate = {2019-11-01},
journal = {Energy and Fuels},
volume = {33},
number = {11},
pages = {11932--11940},
publisher = {American Chemical Society},
abstract = {Nowadays, diesel vehicles include exhaust treatment technologies, such as diesel particulate filters, to meet the emission limitations of soot. Within the particle trap, soot can be oxidized by interaction with nitrogen oxides (NOx). The extent of this interaction will depend on the specific conditions at the trap, the nitrogen oxide considered (NO2 or NO), and the nature of the soot sample. In this context, the reactivity of a standard diesel particulate matter (SRM 1650b-NIST) with NO2 has been analyzed. The tests have been performed in a laboratory quartz gas flow reactor, discontinuous for the solid, in the 723-998 K temperature range and with 100-500 ppm NO2 as an oxidant. Additionally, the soot sample has been characterized through Raman spectrometry, Fourier transform infrared spectroscopy, and thermogravimetric analysis. Both temperature and inlet NO2 concentration are key parameters affecting the reactivity of soot with NO2. Temperatures ≥ 898 K are needed to achieve a complete conversion of carbon in soot and temperatures ≤ 973 K to limit the gas-phase conversion of NO2 into NO. Therefore, the experimental results from the tests performed in the 898-973 K temperature range have been used to determine the reaction kinetics (apparent activation energy and reaction order) of the reference diesel soot oxidation by NO2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Nowadays, diesel vehicles include exhaust treatment technologies, such as diesel particulate filters, to meet the emission limitations of soot. Within the particle trap, soot can be oxidized by interaction with nitrogen oxides (NOx). The extent of this interaction will depend on the specific conditions at the trap, the nitrogen oxide considered (NO2 or NO), and the nature of the soot sample. In this context, the reactivity of a standard diesel particulate matter (SRM 1650b-NIST) with NO2 has been analyzed. The tests have been performed in a laboratory quartz gas flow reactor, discontinuous for the solid, in the 723-998 K temperature range and with 100-500 ppm NO2 as an oxidant. Additionally, the soot sample has been characterized through Raman spectrometry, Fourier transform infrared spectroscopy, and thermogravimetric analysis. Both temperature and inlet NO2 concentration are key parameters affecting the reactivity of soot with NO2. Temperatures ≥ 898 K are needed to achieve a complete conversion of carbon in soot and temperatures ≤ 973 K to limit the gas-phase conversion of NO2 into NO. Therefore, the experimental results from the tests performed in the 898-973 K temperature range have been used to determine the reaction kinetics (apparent activation energy and reaction order) of the reference diesel soot oxidation by NO2
Alexandrino, Katiuska; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Reactivity and Physicochemical Properties of the Soot Produced in the Pyrolysis of 2,5-Dimethylfuran and 2-Methylfuran Journal Article
In: Energy and Fuels, vol. 33, no. 10, pp. 9851–9858, 2019, ISSN: 15205029.
@article{Alexandrino2019,
title = {Reactivity and Physicochemical Properties of the Soot Produced in the Pyrolysis of 2,5-Dimethylfuran and 2-Methylfuran},
author = {Katiuska Alexandrino and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1021/acs.energyfuels.9b01760},
issn = {15205029},
year = {2019},
date = {2019-10-01},
journal = {Energy and Fuels},
volume = {33},
number = {10},
pages = {9851--9858},
publisher = {American Chemical Society},
abstract = {Alkylated furan derivatives, such as 2,5-dimethylfuran (2,5-DMF) and 2-methylfuran (2-MF), have shown, at laboratory scale, a relatively high tendency to form soot. However, soot emissions from diesel engines are lower when diesel/2,5-DMF and diesel/2-MF blends are used. This could indicate that the soot produced in the conversion of these compounds has high reactivity toward some gases present within the combustion chamber, reducing soot emissions in the exhaust gas. In this context, a study on the reactivity and the characterization of the soot generated in the pyrolysis of 2,5-DMF and 2-MF, under different experimental conditions, was performed in an effort to increase the understanding of the reactivity and physicochemical properties of the soot originating in the conversion of these furan derivatives. The soot samples analyzed were obtained in previous works using different concentrations of the alkylated furan derivatives (5000, 7500, and 15â»000 ppm of 2,5-DMF, and 9000 and 18â»000 ppm of 2-MF) and at different temperatures (1275, 1375, and 1475 K). The reactivity experiments were performed at 1275 K with 500 ppm of O2 and 2000 ppm of NO in a tubular quartz flow reactor. Different instrumental analysis techniques were employed to characterize the soot samples and to try to link the soot reactivity with its physicochemical properties. The dependence of soot reactivity and properties with soot formation conditions, namely, temperature and inlet fuel concentration, is studied.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Alkylated furan derivatives, such as 2,5-dimethylfuran (2,5-DMF) and 2-methylfuran (2-MF), have shown, at laboratory scale, a relatively high tendency to form soot. However, soot emissions from diesel engines are lower when diesel/2,5-DMF and diesel/2-MF blends are used. This could indicate that the soot produced in the conversion of these compounds has high reactivity toward some gases present within the combustion chamber, reducing soot emissions in the exhaust gas. In this context, a study on the reactivity and the characterization of the soot generated in the pyrolysis of 2,5-DMF and 2-MF, under different experimental conditions, was performed in an effort to increase the understanding of the reactivity and physicochemical properties of the soot originating in the conversion of these furan derivatives. The soot samples analyzed were obtained in previous works using different concentrations of the alkylated furan derivatives (5000, 7500, and 15â»000 ppm of 2,5-DMF, and 9000 and 18â»000 ppm of 2-MF) and at different temperatures (1275, 1375, and 1475 K). The reactivity experiments were performed at 1275 K with 500 ppm of O2 and 2000 ppm of NO in a tubular quartz flow reactor. Different instrumental analysis techniques were employed to characterize the soot samples and to try to link the soot reactivity with its physicochemical properties. The dependence of soot reactivity and properties with soot formation conditions, namely, temperature and inlet fuel concentration, is studied.
Alexandrino, Katiuska; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Reactivity and Physicochemical Properties of the Soot Produced in the Pyrolysis of 2,5-Dimethylfuran and 2-Methylfuran Journal Article
In: Energy and Fuels, vol. 33, no. 10, pp. 9851–9858, 2019, ISSN: 15205029.
@article{Alexandrino2019a,
title = {Reactivity and Physicochemical Properties of the Soot Produced in the Pyrolysis of 2,5-Dimethylfuran and 2-Methylfuran},
author = {Katiuska Alexandrino and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://pubs.acs.org/sharingguidelines},
doi = {10.1021/acs.energyfuels.9b01760},
issn = {15205029},
year = {2019},
date = {2019-10-01},
journal = {Energy and Fuels},
volume = {33},
number = {10},
pages = {9851--9858},
publisher = {American Chemical Society},
abstract = {Alkylated furan derivatives, such as 2,5-dimethylfuran (2,5-DMF) and 2-methylfuran (2-MF), have shown, at laboratory scale, a relatively high tendency to form soot. However, soot emissions from diesel engines are lower when diesel/2,5-DMF and diesel/2-MF blends are used. This could indicate that the soot produced in the conversion of these compounds has high reactivity toward some gases present within the combustion chamber, reducing soot emissions in the exhaust gas. In this context, a study on the reactivity and the characterization of the soot generated in the pyrolysis of 2,5-DMF and 2-MF, under different experimental conditions, was performed in an effort to increase the understanding of the reactivity and physicochemical properties of the soot originating in the conversion of these furan derivatives. The soot samples analyzed were obtained in previous works using different concentrations of the alkylated furan derivatives (5000, 7500, and 15â»000 ppm of 2,5-DMF, and 9000 and 18â»000 ppm of 2-MF) and at different temperatures (1275, 1375, and 1475 K). The reactivity experiments were performed at 1275 K with 500 ppm of O2 and 2000 ppm of NO in a tubular quartz flow reactor. Different instrumental analysis techniques were employed to characterize the soot samples and to try to link the soot reactivity with its physicochemical properties. The dependence of soot reactivity and properties with soot formation conditions, namely, temperature and inlet fuel concentration, is studied.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Alkylated furan derivatives, such as 2,5-dimethylfuran (2,5-DMF) and 2-methylfuran (2-MF), have shown, at laboratory scale, a relatively high tendency to form soot. However, soot emissions from diesel engines are lower when diesel/2,5-DMF and diesel/2-MF blends are used. This could indicate that the soot produced in the conversion of these compounds has high reactivity toward some gases present within the combustion chamber, reducing soot emissions in the exhaust gas. In this context, a study on the reactivity and the characterization of the soot generated in the pyrolysis of 2,5-DMF and 2-MF, under different experimental conditions, was performed in an effort to increase the understanding of the reactivity and physicochemical properties of the soot originating in the conversion of these furan derivatives. The soot samples analyzed were obtained in previous works using different concentrations of the alkylated furan derivatives (5000, 7500, and 15â»000 ppm of 2,5-DMF, and 9000 and 18â»000 ppm of 2-MF) and at different temperatures (1275, 1375, and 1475 K). The reactivity experiments were performed at 1275 K with 500 ppm of O2 and 2000 ppm of NO in a tubular quartz flow reactor. Different instrumental analysis techniques were employed to characterize the soot samples and to try to link the soot reactivity with its physicochemical properties. The dependence of soot reactivity and properties with soot formation conditions, namely, temperature and inlet fuel concentration, is studied.
Alzueta, María U; Pernía, Ricardo; Abián, María; Millera, Ángela; Bilbao, Rafael
CH3SH conversion in a tubular flow reactor. Experiments and kinetic modelling Journal Article
In: Combustion and Flame, vol. 203, pp. 23–30, 2019, ISSN: 15562921.
@article{Alzueta2019,
title = {CH3SH conversion in a tubular flow reactor. Experiments and kinetic modelling},
author = {María U Alzueta and Ricardo Pernía and María Abián and Ángela Millera and Rafael Bilbao},
doi = {10.1016/j.combustflame.2019.01.017},
issn = {15562921},
year = {2019},
date = {2019-05-01},
journal = {Combustion and Flame},
volume = {203},
pages = {23--30},
publisher = {Elsevier Inc.},
abstract = {The use of non-conventional fuel sources, such as shale gas, brings new research requisites for its proper use in an environmental friendly manner. In this context, shale gas may include different sulphur containing compounds, such as methanethiol, that is also formed as intermediate during sulphur containing residues processing. The present work includes an experimental and kinetic modelling study of the oxidation of methanethiol, CH3SH, in a quartz flow tubular reactor at atmospheric pressure and in the 300–1400 K temperature range. The influence of the temperature, the O2 concentration and the presence of H2O on the conversion regime of CH3SH and the formation of different compounds has been analysed. The experimental results have been interpreted in terms of a detailed gas-phase mechanism compiled in the present work, and the elementary steps involved in the conversion of CH3SH have been identified. In general, oxidation of CH3SH is favoured by both oxygen level and temperature, while the presence of H2O does not modify the CH3SH conversion profile. The main sulphur containing products are SO2, H2S and CS2, pointing to a significant role of other products, apart from SO2, for the control of pollutant emissions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The use of non-conventional fuel sources, such as shale gas, brings new research requisites for its proper use in an environmental friendly manner. In this context, shale gas may include different sulphur containing compounds, such as methanethiol, that is also formed as intermediate during sulphur containing residues processing. The present work includes an experimental and kinetic modelling study of the oxidation of methanethiol, CH3SH, in a quartz flow tubular reactor at atmospheric pressure and in the 300–1400 K temperature range. The influence of the temperature, the O2 concentration and the presence of H2O on the conversion regime of CH3SH and the formation of different compounds has been analysed. The experimental results have been interpreted in terms of a detailed gas-phase mechanism compiled in the present work, and the elementary steps involved in the conversion of CH3SH have been identified. In general, oxidation of CH3SH is favoured by both oxygen level and temperature, while the presence of H2O does not modify the CH3SH conversion profile. The main sulphur containing products are SO2, H2S and CS2, pointing to a significant role of other products, apart from SO2, for the control of pollutant emissions.