Ángela Millera

@article{viteri_polycyclic_2025,

title = {Polycyclic aromatic hydrocarbons formed during the pyrolysis of dimethoxymethane (DMM). Comparison with other oxygenated additives},

author = {Fausto Viteri and Katiuska Alexandrino and Ángela Millera and Rafael Bilbao and María U Alzueta},

url = {https://www.sciencedirect.com/science/article/pii/S0016236124028990},

doi = {10.1016/j.fuel.2024.133750},

issn = {0016-2361},

year  = {2025},

date = {2025-03-01},

urldate = {2025-03-01},

journal = {Fuel},

volume = {383},

pages = {133750},

abstract = {The influence of the temperature (1075 – 1475 K) and inlet concentration of fuel (33,333 and 50,000 ppmv) on the formation of the 16 EPA-priority Polycyclic Aromatic Hydrocarbons (PAH) from the pyrolysis of dimethoxymethane (DMM) was analyzed. PAH were detected in different phases (gas phase, adsorbed on soot, and stuck on the reactor walls) and quantified by gas chromatography-mass spectrometry (GC–MS). Additionally, the toxicity of the PAH samples, expressed as B[a]P-eq, was analyzed in all experiments. A comparison with the results obtained from the pyrolysis of other oxygenated compounds was also performed and similar behaviors were observed. The main results showed that, at low temperatures, the highest concentrations of PAH were found in the gas phase, while at high temperatures were found on soot. For both inlet concentrations of DMM, the light PAH, such as naphthalene and acenaphthylene, were found in major concentrations, in all phases and temperatures. The heavy PAH, such as fluoranthene and pyrene, increased its concentration on soot at highest temperatures. The highest formation of soot was obtained at 1475 K and follows the trend: 2,5DMF < tert-butanol < 2MF < 2butanol < iso-butanol < 1-butanol < ethanol < DMC < DMM. The highest formation of PAH was at 1275 K with the tendency: tert-butanol < 2-butanol < 1-butanol < 2,5DMF < 2MF < iso-butanol < ethanol < DMC < DMM. The highest B[a]P-eq value was found in the pyrolysis of 2,5DMF, and the lowest in the pyrolysis of DMM.},

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}

}

@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}

}

@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}

}