María U. Alzueta

@article{marrodan_conversion_2024,

title = {Conversion of methylamine in a flow reactor and its interaction with NO},

author = {Lorena Marrodán and Teresa Pérez and María U Alzueta},

url = {https://www.sciencedirect.com/science/article/pii/S0010218023005059},

doi = {10.1016/j.combustflame.2023.113130},

issn = {0010-2180},

year  = {2024},

date = {2024-01-01},

urldate = {2024-01-01},

journal = {Combustion and Flame},

volume = {259},

pages = {113130},

abstract = {The conversion of methylamine (CH3NH2, 1000 ppm) has been studied in an atmospheric-pressure flow reactor from both experimental and modeling points of view. Several values of the oxygen excess ratio (λ), from pyrolysis to fuel-lean conditions, have been tested, and a large number of different species have been quantified experimentally by three different diagnostic techniques: gas chromatography, Fourier Transform Infra-red spectroscopy (FTIR) and an infra-red NO analyzer. For the first time, the influence of NO addition (500 and 1000 ppm) on the stoichiometric oxidation of methylamine has also been experimentally evaluated, and the main products of such interaction have been identified. Results indicate that, unlike the little influence of oxygen availability on methylamine conversion, the presence of different concentrations of NO promotes methylamine oxidation at lower temperatures. A literature mechanism has been validated against the present experimental data since previous experimental works under these conditions are scarce. The largest discrepancies have been found for the formation of NH3 and NO as oxidation products, which are under and overestimated by the model, respectively, and under pyrolysis conditions, where modification of the kinetic parameters for the reaction CH2NH2 ⇌ CH2NH + H from the original mechanism notably improves the agreement between experimental and simulated results.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{alzueta_co_2023,

title = {CO assisted NH3 oxidation},

author = {María U Alzueta and Iris Salas and Hamid Hashemi and Peter Glarborg},

url = {https://www.sciencedirect.com/science/article/pii/S0010218022004552},

doi = {10.1016/j.combustflame.2022.112438},

issn = {0010-2180},

year  = {2023},

date = {2023-11-01},

urldate = {2023-11-01},

journal = {Combustion and Flame},

volume = {257},

pages = {112438},

series = {James A. Miller Special Commemorative Issue},

abstract = {In the present work, experimental results from the literature on the effect of CO on the NH3 oxidation in the absence and presence of NO are supplemented with novel flow reactor results and interpreted in terms of a detailed chemical kinetic model. The kinetic model provides a satisfactory prediction over a wide range of conditions for oxidation in flow reactors and for flame speeds of CO/NH3. With increasing levels of CO, the generation of chain carriers gradually shifts from being controlled by the amine reaction subset to being dominated by the oxidation chemistry of CO, facilitating reaction at lower temperatures. At elevated temperature, presence of CO causes a change in selectivity of NH3 oxidation from N2 to NO. The present work provides a thorough evaluation of the amine subset of the reaction mechanism for the investigated conditions and offers a kinetic model that reliably can be used for post-flame oxidation modeling in engines and gas turbines fueled by ammonia with a hydrocarbon or alcohol as co-fuel.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{alzueta_unraveling_2023,

title = {Unraveling the NO reduction mechanisms occurring during the combustion of NH3/CH4 mixtures},

author = {María U Alzueta and María Abián and I. Elvira and Víctor D Mercader and L. Sieso},

url = {https://www.sciencedirect.com/science/article/pii/S0010218022005405},

doi = {10.1016/j.combustflame.2022.112531},

issn = {0010-2180},

year  = {2023},

date = {2023-11-01},

urldate = {2023-11-01},

journal = {Combustion and Flame},

volume = {257},

pages = {112531},

series = {James A. Miller Special Commemorative Issue},

abstract = {The interaction between NH3, CH4 and NO under different conditions of interest for combustion applications is analyzed, from both experimental and kinetic modeling points of view. Reduction of NO by reburn and by SNCR (selective non-catalytic reduction) strategies is evaluated, through an extense systematic study of the influence of the main variables of interest for NO reduction, by means of laboratory flow-reactor experiments at atmospheric pressure. Variables analyzed include: temperature in the 700 to 1500 K range, air stoichiometry from fuel-rich (λ = 0.31) to fuel-lean conditions (λ = 2.21), NH3/CH4 ratio in the 0.4 to 10.78 range, NH3/NO ratio in the 0.49 to 2.60 range the, and CH4/NO ratio in the 0.37 to 1.98 range, dilution level, and bath gas by using nitrogen and argon, the latter to allow the precise determination of nitrogen balances. Results are interpreted using a literature reaction mechanism, together with reaction pathway analysis tools, and the main findings are discussed. Results indicate that ammonia promotes the conversion of methane, while methane inhibits the conversion of ammonia, due to the competition for radicals of both components in the mixture. The interaction of ammonia and methane implies that the reduction of NO by NH3/CH4 mixtures is comparatively lower than the reduction obtained by NH3 and CH4 independently. Implications for practical applications of the reduction of NO by the studied mixtures are discussed.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Marrodan2022,

title = {An experimental and modeling study of acetylene-dimethyl ether mixtures oxidation at high-pressure},

author = {Lorena Marrodán and Ángela Millera and Rafael Bilbao and María U Alzueta},

url = {https://linkinghub.elsevier.com/retrieve/pii/S0016236122019846},

doi = {10.1016/J.FUEL.2022.125143},

issn = {0016-2361},

year  = {2022},

date = {2022-11-01},

urldate = {2022-11-01},

journal = {Fuel},

volume = {327},

pages = {125143},

publisher = {Elsevier},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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}

}