Call:
Email: uxue@unizar.es
Address: Office 4.1.01 Aragón Institute Engineering Research (I3A) R&D Building 50018 Zaragoza, Spain
ABOUT ME
Research interests
- High temperature chemistry
- Combustion
- Chemical kinetic modelling
- Biofuel conversion
- Thermochemical processes
- Minimization of pollutant emissions (NOx, SO2, PAH, soot, etc)
PUBLICATIONS
2021
Alzueta, María U; Ara, L; Mercader, Víctor D; 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 Víctor D 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},
urldate = {2021-08-01},
journal = {Combustion and Flame},
pages = {111691},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Adánez-Rubio, Iñaki; Fonts, Isabel; 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 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}
}
Colom-Díaz, Juan Manuel; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Conversion of H2S/O2/NO mixtures at different pressures. Experiments and kinetic modeling Journal Article
In: Fuel, vol. 290, pp. 120060, 2021, ISSN: 00162361.
@article{Colom-Diaz2021b,
title = {Conversion of H2S/O2/NO mixtures at different pressures. Experiments and kinetic modeling},
author = {Juan Manuel Colom-Díaz and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1016/j.fuel.2020.120060},
issn = {00162361},
year = {2021},
date = {2021-04-01},
journal = {Fuel},
volume = {290},
pages = {120060},
publisher = {Elsevier Ltd},
abstract = {The present study deals with the oxidation of H2S/NO mixtures, in the temperature range of 475–1400 K, at atmospheric pressure and 20 bar of manometric pressure. The experiments have been performed in two different set-ups, using tubular flow reactors, for different air excess ratios ($łambda$H2S = 0.3–6). A kinetic model has been updated with recent reactions from the literature. When NO is present, the oxidation of H2S at atmospheric pressure proceeds at slightly higher temperatures (25 K) with respect to neat H2S oxidation. At high pressure (20 bar), the experiments of the oxidation of H2S in the absence and presence of NO have been performed only at oxidizing conditions ($łambda$H2S = 2 and $łambda$H2S = 6), in order to avoid sulfur formation under reducing conditions. The outcomes of these experiments show that, in presence of NO, at the lowest temperature considered (475 K), at least 50% of H2S conversion for $łambda$H2S = 2 and 90% for $łambda$H2S = 6 is obtained. In order to further evaluate the influence of the presence of NO in H2S oxidation, additional experiments of neat NO oxidation have been performed. As NO2 formation is favored at high pressures and high O2 concentrations, the NO2-H2S interaction is thought to be responsible for the consumption of H2S, even at low temperatures (475 K). While the kinetic mechanism is able to reproduce the experimental results at atmospheric pressure, discrepancies are more relevant at high pressure (20 bar).},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The present study deals with the oxidation of H2S/NO mixtures, in the temperature range of 475–1400 K, at atmospheric pressure and 20 bar of manometric pressure. The experiments have been performed in two different set-ups, using tubular flow reactors, for different air excess ratios ($łambda$H2S = 0.3–6). A kinetic model has been updated with recent reactions from the literature. When NO is present, the oxidation of H2S at atmospheric pressure proceeds at slightly higher temperatures (25 K) with respect to neat H2S oxidation. At high pressure (20 bar), the experiments of the oxidation of H2S in the absence and presence of NO have been performed only at oxidizing conditions ($łambda$H2S = 2 and $łambda$H2S = 6), in order to avoid sulfur formation under reducing conditions. The outcomes of these experiments show that, in presence of NO, at the lowest temperature considered (475 K), at least 50% of H2S conversion for $łambda$H2S = 2 and 90% for $łambda$H2S = 6 is obtained. In order to further evaluate the influence of the presence of NO in H2S oxidation, additional experiments of neat NO oxidation have been performed. As NO2 formation is favored at high pressures and high O2 concentrations, the NO2-H2S interaction is thought to be responsible for the consumption of H2S, even at low temperatures (475 K). While the kinetic mechanism is able to reproduce the experimental results at atmospheric pressure, discrepancies are more relevant at high pressure (20 bar).
Colom-Díaz, Juan Manuel; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
New results of H2S oxidation at high pressures. Experiments and kinetic modeling Journal Article
In: Fuel, vol. 285, pp. 119261, 2021, ISSN: 00162361.
@article{Colom-Diaz2021,
title = {New results of H2S oxidation at high pressures. Experiments and kinetic modeling},
author = {Juan Manuel Colom-Díaz and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0016236120322572},
doi = {10.1016/j.fuel.2020.119261},
issn = {00162361},
year = {2021},
date = {2021-02-01},
journal = {Fuel},
volume = {285},
pages = {119261},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Colom-Díaz, Juan Manuel; Alzueta, María U; Zeng, Z; Altarawneh, M; Dlugogorski, B Z
Oxidation of H2S and CH3SH in a jet-stirred reactor: Experiments and kinetic modeling Journal Article
In: Fuel, vol. 283, 2021, ISSN: 00162361.
@article{Colom-Diaz2021bb,
title = {Oxidation of H2S and CH3SH in a jet-stirred reactor: Experiments and kinetic modeling},
author = {Juan Manuel Colom-Díaz and María U Alzueta and Z Zeng and M Altarawneh and B Z Dlugogorski},
doi = {10.1016/j.fuel.2020.119258},
issn = {00162361},
year = {2021},
date = {2021-01-01},
journal = {Fuel},
volume = {283},
publisher = {Elsevier Ltd},
abstract = {This contribution reports experimental measurements of the oxidation of H2S and CH3SH, under atmospheric pressure in a jet-stirred reactor (JSR), in the temperature range of 600–1100 K and for stoichiometric and oxidizing conditions. We update a recent kinetic model, originally developed based on the measurements of oxidation of H2S and CH3SH in a tubular flow-reactor and apply it to simulate the experimental data. The CH3SH subset of the kinetic model features new reactions based on a recent theoretical work and the rate parameters proposed in the present investigation. The oxidation of CH3SH proceeds mainly through an intersystem crossing process that leads to the formation of sulfine (CH2SO). The unimolecular decomposition of CH2SO in two competing reactions produces CO + H2S and COS + H2. The results from the model concur well with the experimental measurements, both from the present work and from the literature. We demonstrate that, both H2S and CH3S exhibit a similar ignition temperature, due to the initiation step that involves the abstraction of H initially bonded to sulfur. It is expected that, the results from the present investigation find application in processing of sour gas, including shale gas, especially in the direct combustion of the gas (i.e., without purification) for energy production.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
This contribution reports experimental measurements of the oxidation of H2S and CH3SH, under atmospheric pressure in a jet-stirred reactor (JSR), in the temperature range of 600–1100 K and for stoichiometric and oxidizing conditions. We update a recent kinetic model, originally developed based on the measurements of oxidation of H2S and CH3SH in a tubular flow-reactor and apply it to simulate the experimental data. The CH3SH subset of the kinetic model features new reactions based on a recent theoretical work and the rate parameters proposed in the present investigation. The oxidation of CH3SH proceeds mainly through an intersystem crossing process that leads to the formation of sulfine (CH2SO). The unimolecular decomposition of CH2SO in two competing reactions produces CO + H2S and COS + H2. The results from the model concur well with the experimental measurements, both from the present work and from the literature. We demonstrate that, both H2S and CH3S exhibit a similar ignition temperature, due to the initiation step that involves the abstraction of H initially bonded to sulfur. It is expected that, the results from the present investigation find application in processing of sour gas, including shale gas, especially in the direct combustion of the gas (i.e., without purification) for energy production.