Teléfono: +34 876555451
Email: marrodan@unizar.es
Address: Office 4.01.02 Mariano Equillor s/n. Campus Río Ebro. Edificio I+D+i. 50018. Zaragoza. Aragón. Spain.
SOBRE MÍ
Research Interests
Oxidation of organic compounds under combustion conditions. Chemical kinetics modelling. Control of atmospheric pollution. Monitoring of air quality.
PUBLICATIONS
2018
Marrodán, Lorena; Arnal, Álvaro J; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
High-pressure ethanol oxidation and its interaction with NO Artículo de revista
En: Fuel, vol. 223, pp. 394–400, 2018, ISSN: 00162361.
@article{Marrodan2018b,
title = {High-pressure ethanol oxidation and its interaction with NO},
author = {Lorena Marrodán and Álvaro J Arnal and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1016/j.fuel.2018.03.048},
issn = {00162361},
year = {2018},
date = {2018-07-01},
journal = {Fuel},
volume = {223},
pages = {394--400},
publisher = {Elsevier Ltd},
abstract = {Ethanol has become a promising biofuel, widely used as a renewable fuel and gasoline additive. Describing the oxidation kinetics of ethanol with high accuracy is required for the development of future efficient combustion devices with lower pollutant emissions. The oxidation process of ethanol, from reducing to oxidizing conditions, and its pressure dependence (20, 40 and 60 bar) has been analyzed in the 500–1100 K temperature range, in a tubular flow reactor under well controlled conditions. The effect of the presence of NO has been also investigated. The experimental results have been interpreted in terms of a detailed chemical kinetic mechanism with the GADM mechanism (Glarborg P, Alzueta MU, Dam-Johansen K and Miller JA, 1998) as a base mechanism but updated, validated, extended by our research group with reactions added from the ethanol oxidation mechanism of Alzueta and Hernández (Alzueta MU and Hernández JM, 2002), and revised according to the present high-pressure conditions and the presence of NO. The final mechanism is able to reproduce the experimental trends observed on the reactants consumption and main products formation during the ethanol oxidation under the conditions studied in this work. The results show that the oxygen availability in the reactant mixture has an almost imperceptible effect on the temperature for the onset of ethanol consumption at a constant pressure, but this consumption is faster for the highest value of air excess ratio ($łambda$) analyzed. Moreover, as the pressure becomes higher, the oxidation of ethanol starts at lower temperatures. The presence of NO promotes ethanol oxidation, due to the increased relevance of the interactions of CH3 radicals and NO2 (from the conversion of NO to NO2 at high pressures and in presence of O2) and the increased concentration of OH radicals from the interaction of NO2 and water.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ethanol has become a promising biofuel, widely used as a renewable fuel and gasoline additive. Describing the oxidation kinetics of ethanol with high accuracy is required for the development of future efficient combustion devices with lower pollutant emissions. The oxidation process of ethanol, from reducing to oxidizing conditions, and its pressure dependence (20, 40 and 60 bar) has been analyzed in the 500–1100 K temperature range, in a tubular flow reactor under well controlled conditions. The effect of the presence of NO has been also investigated. The experimental results have been interpreted in terms of a detailed chemical kinetic mechanism with the GADM mechanism (Glarborg P, Alzueta MU, Dam-Johansen K and Miller JA, 1998) as a base mechanism but updated, validated, extended by our research group with reactions added from the ethanol oxidation mechanism of Alzueta and Hernández (Alzueta MU and Hernández JM, 2002), and revised according to the present high-pressure conditions and the presence of NO. The final mechanism is able to reproduce the experimental trends observed on the reactants consumption and main products formation during the ethanol oxidation under the conditions studied in this work. The results show that the oxygen availability in the reactant mixture has an almost imperceptible effect on the temperature for the onset of ethanol consumption at a constant pressure, but this consumption is faster for the highest value of air excess ratio ($łambda$) analyzed. Moreover, as the pressure becomes higher, the oxidation of ethanol starts at lower temperatures. The presence of NO promotes ethanol oxidation, due to the increased relevance of the interactions of CH3 radicals and NO2 (from the conversion of NO to NO2 at high pressures and in presence of O2) and the increased concentration of OH radicals from the interaction of NO2 and water.
2016
Marrodán, Lorena; Berdusán, Laura; Aranda, Verónica; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO Artículo de revista
En: Fuel, vol. 183, pp. 1–8, 2016, ISSN: 00162361.
@article{Marrodan2016b,
title = {Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO},
author = {Lorena Marrodán and Laura Berdusán and Verónica Aranda and Ángela Millera and Rafael Bilbao and María U Alzueta},
doi = {10.1016/j.fuel.2016.06.011},
issn = {00162361},
year = {2016},
date = {2016-11-01},
journal = {Fuel},
volume = {183},
pages = {1--8},
publisher = {Elsevier Ltd},
abstract = {Dimethyl ether (DME) is a promising diesel fuel additive for reducing soot and NOx emissions, because of its interesting properties and the possibility of a renewable production. An experimental and modeling study of the oxidation of acetylene (C2H2, considered as an important soot precursor) and DME mixtures has been performed under well-controlled flow reactor conditions. The influence of temperature, air excess ratio ($łambda$) and presence of NO on the oxidation process has been analyzed. Under fuel-rich conditions, the presence of DME in these mixtures modifies the radical pool delaying the acetylene consumption. C2H2 and DME, and the radicals generated in their conversion, interact with NO achieving different levels of NO concentration diminution depending upon the operating conditions. Under fuel-lean conditions, the presence of DME in the mixtures increases the NO diminution, whereas for the other values of $łambda$ considered, the maximum NO decrease reached is lower than that obtained in the case of pure acetylene.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Dimethyl ether (DME) is a promising diesel fuel additive for reducing soot and NOx emissions, because of its interesting properties and the possibility of a renewable production. An experimental and modeling study of the oxidation of acetylene (C2H2, considered as an important soot precursor) and DME mixtures has been performed under well-controlled flow reactor conditions. The influence of temperature, air excess ratio ($łambda$) and presence of NO on the oxidation process has been analyzed. Under fuel-rich conditions, the presence of DME in these mixtures modifies the radical pool delaying the acetylene consumption. C2H2 and DME, and the radicals generated in their conversion, interact with NO achieving different levels of NO concentration diminution depending upon the operating conditions. Under fuel-lean conditions, the presence of DME in the mixtures increases the NO diminution, whereas for the other values of $łambda$ considered, the maximum NO decrease reached is lower than that obtained in the case of pure acetylene.
Marrodán, Lorena; Monge, Fabiola; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
Dimethoxymethane Oxidation in a Flow Reactor Artículo de revista
En: Combustion Science and Technology, vol. 188, no 4-5, pp. 719–729, 2016, ISSN: 1563521X.
@article{Marrodan2016a,
title = {Dimethoxymethane Oxidation in a Flow Reactor},
author = {Lorena Marrodán and Fabiola Monge and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://www.tandfonline.com/doi/abs/10.1080/00102202.2016.1138826},
doi = {10.1080/00102202.2016.1138826},
issn = {1563521X},
year = {2016},
date = {2016-05-01},
journal = {Combustion Science and Technology},
volume = {188},
number = {4-5},
pages = {719--729},
publisher = {Taylor and Francis Inc.},
abstract = {The simultaneous reduction of NOx and soot emissions from diesel engines is a major research subject and a challenge in today's world. One prospective solution involves diesel fuel reformulation by addition of oxygenated compounds, such as dimethoxymethane (DMM). In this context, different DMM oxidation experiments have been carried out in an atmospheric pressure gas-phase installation, in the 573–1373 K temperature range, from pyrolysis to fuel-lean conditions. The results obtained have been interpreted by means of a detailed gas-phase chemical kinetic mechanism. Results indicate that the initial oxygen concentration slightly influences the consumption of DMM. However, certain effects can be observed in the profiles of the main products (CH4, CH3OH, CH3OCHO, CO, CO2, C2H2, C2H4, and C2H6). Acetylene, an important soot precursor, is only formed under pyrolysis and reducing conditions. In general, a good agreement between experimental and modeling data was observed.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The simultaneous reduction of NOx and soot emissions from diesel engines is a major research subject and a challenge in today’s world. One prospective solution involves diesel fuel reformulation by addition of oxygenated compounds, such as dimethoxymethane (DMM). In this context, different DMM oxidation experiments have been carried out in an atmospheric pressure gas-phase installation, in the 573–1373 K temperature range, from pyrolysis to fuel-lean conditions. The results obtained have been interpreted by means of a detailed gas-phase chemical kinetic mechanism. Results indicate that the initial oxygen concentration slightly influences the consumption of DMM. However, certain effects can be observed in the profiles of the main products (CH4, CH3OH, CH3OCHO, CO, CO2, C2H2, C2H4, and C2H6). Acetylene, an important soot precursor, is only formed under pyrolysis and reducing conditions. In general, a good agreement between experimental and modeling data was observed.
2015
Marrodán, Lorena; Royo, Eduardo; Millera, Ángela; Bilbao, Rafael; Alzueta, María U
High pressure oxidation of dimethoxymethane Artículo de revista
En: Energy and Fuels, vol. 29, no 5, pp. 3507–3517, 2015, ISSN: 15205029.
@article{Marrodan2015,
title = {High pressure oxidation of dimethoxymethane},
author = {Lorena Marrodán and Eduardo Royo and Ángela Millera and Rafael Bilbao and María U Alzueta},
url = {https://pubs.acs.org/sharingguidelines},
doi = {10.1021/acs.energyfuels.5b00459},
issn = {15205029},
year = {2015},
date = {2015-05-01},
journal = {Energy and Fuels},
volume = {29},
number = {5},
pages = {3507--3517},
publisher = {American Chemical Society},
abstract = {The oxidation of dimethoxymethane (DMM) has been studied under a wide range of temperatures (373-1073 K), pressures (20-60 bar) and air excess ratios ($łambda$ = 0.7, 1 and 20), from both experimental and modeling points of view. Experimental results have been interpreted and analyzed in terms of a detailed gas-phase chemical kinetic mechanism for describing the DMM oxidation. The results show that the DMM oxidation regime for 20, 40 and 60 bar is very similar for both reducing and stoichiometric conditions. For oxidizing conditions, a plateau in the DMM, CO and CO<inf>2</inf> concentration profiles as a function of the temperature can be observed. This zone seems to be associated with the peroxy intermediate, CH<inf>3</inf>OCH<inf>2</inf>O<inf>2</inf>, whose formation and consumption reactions appear to be important for the description of DMM conversion under high pressure and high oxygen concentration conditions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The oxidation of dimethoxymethane (DMM) has been studied under a wide range of temperatures (373-1073 K), pressures (20-60 bar) and air excess ratios ($łambda$ = 0.7, 1 and 20), from both experimental and modeling points of view. Experimental results have been interpreted and analyzed in terms of a detailed gas-phase chemical kinetic mechanism for describing the DMM oxidation. The results show that the DMM oxidation regime for 20, 40 and 60 bar is very similar for both reducing and stoichiometric conditions. For oxidizing conditions, a plateau in the DMM, CO and CO<inf>2</inf> concentration profiles as a function of the temperature can be observed. This zone seems to be associated with the peroxy intermediate, CH<inf>3</inf>OCH<inf>2</inf>O<inf>2</inf>, whose formation and consumption reactions appear to be important for the description of DMM conversion under high pressure and high oxygen concentration conditions.