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PUBLICATIONS
2021
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}
}
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}
}
Benés, Mario; Pozo, Guillermo; Abián, María; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Experimental Study of the Pyrolysis of NH3under Flow Reactor Conditions Journal Article
In: Energy and Fuels, 2021, ISSN: 15205029.
@article{Benes2021,
title = {Experimental Study of the Pyrolysis of NH3under Flow Reactor Conditions},
author = {Mario Benés and Guillermo Pozo and María Abián and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://dx.doi.org/10.1021/acs.energyfuels.0c03387},
doi = {10.1021/acs.energyfuels.0c03387},
issn = {15205029},
year = {2021},
date = {2021-01-01},
journal = {Energy and Fuels},
publisher = {American Chemical Society},
abstract = {The possibility of using ammonia (NH3), as a fuel and as an energy carrier with low pollutant emissions, can contribute to the transition to a low-carbon economy. To use ammonia as fuel, knowledge about the NH3 conversion is desired. In particular, the conversion of ammonia under pyrolysis conditions could be determinant in the description of its combustion mechanism. In this work, pyrolysis experiments of ammonia have been performed in both a quartz tubular flow reactor (900-1500 K) and a non-porous alumina tubular flow reactor (900-1800 K) using Ar or N2 as bath gas. An experimental study of the influence of the reactor material (quartz or alumina), the bulk gas (N2 or Ar), the ammonia inlet concentration (1000 and 10a 000 ppm), and the gas residence time [2060/T (K)-8239/T (K) s] on the pyrolysis process has been performed. After the reaction, the resulting compounds (NH3, H2, and N2) are analyzed in a gas chromatograph/thermal conductivity detector chromatograph and an infrared continuous analyzer. Results show that H2 and N2 are the main products of the thermal decomposition of ammonia. Under the conditions of the present work, differences between working in a quartz or non-porous alumina reactor are not significant under pyrolysis conditions for temperatures lower than 1400 K. Neither the bath gas nor the ammonia inlet concentration influence the ammonia conversion values. For a given temperature and under all conditions studied, conversion of ammonia increases with an increasing gas residence time, which results into a narrower temperature window for NH3 conversion.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Alzueta, María U; Guerrero, Marta; Millera, Ángela; Marshall, Paul; Glarborg, Peter
Experimental and kinetic modeling study of oxidation of acetonitrile Journal Article
In: Proceedings of the Combustion Institute, vol. 38, no. 1, pp. 575–583, 2021, ISSN: 1540-7489.
@article{Alzueta2021a,
title = {Experimental and kinetic modeling study of oxidation of acetonitrile},
author = {María U Alzueta and Marta Guerrero and Ángela Millera and Paul Marshall and Peter Glarborg},
doi = {10.1016/J.PROCI.2020.07.043},
issn = {1540-7489},
year = {2021},
date = {2021-01-01},
journal = {Proceedings of the Combustion Institute},
volume = {38},
number = {1},
pages = {575--583},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2020
Adanez-Rubio, Iñaki; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Effect of H2S on the S-PAH formation during ethylene pyrolysis Journal Article
In: Fuel, vol. 276, pp. 118033, 2020, ISSN: 00162361.
@article{Adanez-Rubio2020a,
title = {Effect of H2S on the S-PAH formation during ethylene pyrolysis},
author = {Iñaki Adanez-Rubio and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1016/j.fuel.2020.118033},
issn = {00162361},
year = {2020},
date = {2020-09-01},
journal = {Fuel},
volume = {276},
pages = {118033},
publisher = {Elsevier Ltd},
abstract = {The effect of the H2S presence on the formation of six different sulphurated polycyclic hydrocarbons (S-PAH), during the pyrolysis of ethylene-H2S mixtures, has been studied in a tubular flow reactor installation. Experiments with different inlet H2S concentrations (0.3, 0.5 and 1%) and temperatures of reaction (between 1075 and 1475 K) have been carried out. The 16 compounds that the Environmental Protection Agency (EPA) has stated as EPA-PAH priority pollutants were also analysed. EPA-PAH compounds were the majority of quantified PAH, and also S-PAH were found and quantified. For temperatures studied, the S-PAH/EPA-PAH ratio values showed a maximum value at 1075 K and a minimum value at 1175 K. With respect to the effect of the inlet concentration of H2S, the S-PAH/EPA-PAH ratio values increased with the increase of the H2S concentration.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}