Teléfono:
Email: uxue@unizar.es
Address: Office 4.1.01 Aragón Institute Engineering Research (I3A) R&D Building 50018 Zaragoza, Spain
SOBRE MÍ
Research interests
- High temperature chemistry
- Combustion
- Chemical kinetic modelling
- Biofuel conversion
- Thermochemical processes
- Minimization of pollutant emissions (NOx, SO2, PAH, soot, etc)
PUBLICATIONS
2022
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 (…
Alexandrino, Katiuska; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Experimental and simulation study of the high pressure oxidation of dimethyl carbonate Artículo de revista
En: 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.
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 Artículo de revista
En: Combustion and Flame, vol. 235, 2022, ISSN: 15562921.
@article{Alzueta2022,
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},
doi = {10.1016/j.combustflame.2021.111691},
issn = {15562921},
year = {2022},
date = {2022-01-01},
urldate = {2022-01-01},
journal = {Combustion and Flame},
volume = {235},
publisher = {Elsevier Inc.},
abstract = {The interaction between ammonia and NO under combustion conditions is analyzed in the present work, from both experimental and kinetic modelling points of view. An experimental systematic study of the influence of the main variables for the NH3[sbnd]NO interaction is made using a laboratory tubular flow reactor installation. Experiments are performed at atmospheric pressure and variables analyzed include: temperature in the 700–1500 K range, air stoichiometry, from pyrolysis to very oxidizing conditions, and the NH3/NO ratio, in the 0.7–3.5 range. Nitrogen and argon have been used as diluent gas. A literature reaction mechanism has been used to simulate the present experimental results and discuss the main findings. Reaction path analysis has allowed the identification of the reaction routes under the studied conditions. The simulations reflect the main experimental trends observed. Main results show that NO reduction by NH3 occurs at any conditions studied, but is more intense under oxygen excess conditions. Interactions of NH3 and NO proceeds in a molar basis with optimum conversions of NO of up to almost 100%.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The interaction between ammonia and NO under combustion conditions is analyzed in the present work, from both experimental and kinetic modelling points of view. An experimental systematic study of the influence of the main variables for the NH3[sbnd]NO interaction is made using a laboratory tubular flow reactor installation. Experiments are performed at atmospheric pressure and variables analyzed include: temperature in the 700–1500 K range, air stoichiometry, from pyrolysis to very oxidizing conditions, and the NH3/NO ratio, in the 0.7–3.5 range. Nitrogen and argon have been used as diluent gas. A literature reaction mechanism has been used to simulate the present experimental results and discuss the main findings. Reaction path analysis has allowed the identification of the reaction routes under the studied conditions. The simulations reflect the main experimental trends observed. Main results show that NO reduction by NH3 occurs at any conditions studied, but is more intense under oxygen excess conditions. Interactions of NH3 and NO proceeds in a molar basis with optimum conversions of NO of up to almost 100%.
Alexandrino, Katiuska; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Experimental and simulation study of the high pressure oxidation of dimethyl carbonate Artículo de revista
En: Fuel, vol. 309, no October 2021, 2022, ISSN: 00162361.
@article{Alexandrino2022b,
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 = {00162361},
year = {2022},
date = {2022-01-01},
urldate = {2022-01-01},
journal = {Fuel},
volume = {309},
number = {October 2021},
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.
Alzueta, María U; Giménez-López, Jorge; Mercader, Víctor D; Bilbao, Rafael
Conversion of NH3 and NH3-NO mixtures in a CO2 atmosphere. A parametric study Artículo de revista
En: Fuel, vol. 327, no April, 2022, ISSN: 00162361.
@article{Alzueta2022a,
title = {Conversion of NH3 and NH3-NO mixtures in a CO2 atmosphere. A parametric study},
author = {María U Alzueta and Jorge Giménez-López and Víctor D Mercader and Rafael Bilbao},
doi = {10.1016/j.fuel.2022.125133},
issn = {00162361},
year = {2022},
date = {2022-01-01},
urldate = {2022-01-01},
journal = {Fuel},
volume = {327},
number = {April},
abstract = {The present work addresses the oxidation of ammonia and ammonia-nitric oxide mixtures in a CO2 atmosphere, characteristic of oxy-fuel processes and/or biogas combustion, from both experimental and kinetic modelling points of view. A parametric study of NH3 and NH3/NO mixtures oxidation is carried out, evaluating the influence of the temperature (700–1500 K), stoichiometry (from pyrolysis, $łambda$ = 0, to significantly oxidizing conditions, $łambda$ = 3.3), gas residence time (low values, 195/T(K) s and high values, 3100/T(K) s) and NH3/NO ratio (0.5–2.2), at atmospheric pressure under well-controlled laboratory conditions using two tubular flow reactor setups. Experimental results have been simulated with an updated literature reaction mechanism, which has been used to interpret the experimental observations.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The present work addresses the oxidation of ammonia and ammonia-nitric oxide mixtures in a CO2 atmosphere, characteristic of oxy-fuel processes and/or biogas combustion, from both experimental and kinetic modelling points of view. A parametric study of NH3 and NH3/NO mixtures oxidation is carried out, evaluating the influence of the temperature (700–1500 K), stoichiometry (from pyrolysis, $łambda$ = 0, to significantly oxidizing conditions, $łambda$ = 3.3), gas residence time (low values, 195/T(K) s and high values, 3100/T(K) s) and NH3/NO ratio (0.5–2.2), at atmospheric pressure under well-controlled laboratory conditions using two tubular flow reactor setups. Experimental results have been simulated with an updated literature reaction mechanism, which has been used to interpret the experimental observations.