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Oxidation of Organic Compounds Present in Fuels Under Conditions of Interest for Combustion Processes

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Oxidation of Organic Compounds Present in Fuels Under Conditions of Interest for Combustion Processes 2019 22 Lorena Marrodán Bretón Oxidation of organic compounds present in fuels under conditions of interest for combustion processes Departamento Ingeniería Química y Tecnologías del Medio Ambiente Director/es MILLERA PERALTA, ÁNGELA ALZUETA ANIA, MARIA UJUE Reconocimiento – NoComercial – © Universidad de Zaragoza SinObraDerivada (by-nc-nd): No se Servicio de Publicaciones permite un uso comercial de la obra original ni la generación de obras derivadas. ISSN 2254-7606 Tesis Doctoral OXIDATION OF ORGANIC COMPOUNDS PRESENT IN FUELS UNDER CONDITIONS OF INTEREST FOR COMBUSTION PROCESSES Autor Lorena Marrodán Bretón Director/es MILLERA PERALTA, ÁNGELA ALZUETA ANIA, MARIA UJUE UNIVERSIDAD DE ZARAGOZA Ingeniería Química y Tecnologías del Medio Ambiente 2018 Repositorio de la Universidad de Zaragoza – Zaguan http://zaguan.unizar.es “Oxidation of organic compounds present in fuels under conditions of interest for combustion processes” This dissertation is submitted to the Department of Chemical Engineering and Environmental Technologies at the University of Zaragoza (Spain) in fulfillment of the requirements for the degree of Doctor Lorena Marrodán Bretón Zaragoza, 2018 Dña. María Ujué Alzueta Anía, Catedrática de Universidad, y Dña. Ángela Millera Peralta, Profesora Titular del Departamento de Ingeniería Química y Tecnologías del Medio Ambiente de la Universidad de Zaragoza, INFORMAN Que la presente memoria titulada: “Oxidation of organic compounds present in fuels under conditions of interest for combustion processes” ha sido realizada bajo su supervisión en el Grupo de Procesos Termoquímicos perteneciente al Instituto de Investigación en Ingeniería de Aragón (I3A) y en el Departamento de Ingeniería Química y Tecnologías del Medio Ambiente de la Universidad de Zaragoza, por Dña. Lorena Marrodán Bretón, y AUTORIZAN su presentación como compendio de publicaciones y con la mención internacional en el título de Doctor, cumpliendo con las condiciones requeridas para que su autora pueda optar al grado de Doctor en el Programa de Doctorado de Ingeniería Química y del Medio Ambiente de la Universidad de Zaragoza. Y para que así conste, firmamos este certificado en Zaragoza a 17 de octubre de 2018. Dña. María Ujué Alzueta Anía Dña. Ángela Millera Peralta Professor María Ujué Alzueta Anía and Associate Professor Ángela Millera Peralta, both belonging to the Department of Chemical and Environmental Engineering of the University of Zaragoza, REPORT that: The Doctoral Thesis entitled: “Oxidation of organic compounds present in fuels under conditions of interest for combustion processes” has been carried out under our supervision in the Thermo‐Chemical Processes Group belonging to the Aragón Institute of Engineering Research (I3A) and in the Department of Chemical and Environmental Engineering of the University of Zaragoza, by Ms. Lorena Marrodán Bretón, and we AUTHORIZE and approve the presentation of this dissertation in the form of compendium of publications and with the international citation on the doctoral certificate, fulfilling the requirements for the degree of Doctor. And for the record, we sign this document in Zaragoza on 17th October 2018. Dña. María Ujué Alzueta Anía Dña. Ángela Millera Peralta El presente trabajo ha sido publicado, en gran parte, en los artículos que se mencionan a continuación y que se adjuntan al final de esta memoria. The present work has been largely published in the articles mentioned below and attached at the end of this dissertation. A. Marrodán, L.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2014). High‐pressure study of methyl formate oxidation and its interaction with NO. Energy and Fuels 28, 6107‐ 6115. I. Marrodán, L.; Monge, F.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2016). Dimethoxymethane oxidation in a flow reactor. Combustion Science and Technology 188, 719‐729. II. Marrodán, L.; Royo, E.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2015). High pressure oxidation of dimethoxymethane. Energy and Fuels 29, 3507‐3517. III. Marrodán, L.; Arnal, Á.J.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2018). High‐ pressure ethanol oxidation and its interaction with NO. Fuel 223, 394‐400. IV. Marrodán, L.; Berdusán, L.; Aranda, V.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2016). Influence of dimethyl ether addition on the oxidation of acetylene in the absence and presence of NO. Fuel 183, 1‐8. V. Marrodán, L.; Arnal, Á.J.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2018). The inhibiting effect of NO addition on dimethyl ether high‐pressure oxidation. Combustion and Flame 197, 1‐10. VI. Song, Y.; Marrodán, L.; Vin, N.; Herbinet, O.; Assaf, E.; Fittschen, C.; Stagni, A.; Faravelli, T.; Alzueta, M.U.; Battin‐Leclerc, F. (2018). The sensitizing effects of NO2 and NO on methane low temperature oxidation in a jet stirred reactor. Proceedings of the Combustion Institute, DOI: 10.1016/j.proci.2018.06.115. VII. Marrodán, L.; Fuster, M.; Millera, Á.; Bilbao, R.; Alzueta, M.U. (2018). Ethanol as a fuel additive: high‐pressure oxidation of its mixtures with acetylene. Energy and Fuels 32, 10078‐10087. Las publicaciones numeradas del I‐VII forman parte del compendio de artículos, modalidad por la que se presenta esta Tesis Doctoral. La numeración de las mismas corresponde al orden en que se mencionan en la memoria. Al final de la misma, se pueden consultar las publicaciones completas. The I‐VII numbered publications are part of the compendium of publications, modality by which this Doctoral Thesis is presented. The numbering corresponds to the order in which they are mentioned in the memory, at the end of which, they can be consulted. El artículo A, aunque no forma parte del compendio de publicaciones, ha sido incluido ya que se considera muy relevante en el contexto de esta investigación. Article A has been included since it is considered very relevant in the context of this research, although it is not part of the compendium of publications. Adicionalmente, en la parte final de la memoria, se muestran algunos resultados obtenidos durante esta tesis que todavía no han sido discutidos y publicados en revistas científicas. Additionally, in the final part of this dissertation, some results obtained during this thesis, which have not yet been discussed and published in scientific journals, are shown. Por otro lado, la doctoranda ha participado y presentado resultados parciales de la investigación en diferentes congresos nacionales e internacionales, relacionados con diferentes aspectos implicados en su trabajo. On the other hand, the doctoral candidate has participated and presented partial results of this research in several national and international congresses, related to different aspects involved in her work. ‐ Marrodán, L.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Methyl formate: an experimental and kinetic study of its oxidation at high‐pressure. III Jornada de Jóvenes Investigadores I3A. Zaragoza (Spain), 29th May, 2014. Oral presentation. ‐ Marrodán, L.; Royo, E.; Millera, Á.; Bilbao, R.; Alzueta, M.U. A promising diesel fuel additive: dimethoxymethane. ANQUE‐ICCE‐BIOTEC 2014. Madrid (Spain), 1‐4 July 2014. Oral presentation. ‐ Marrodán, L.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Methyl formate oxidation at high‐ pressure. 23rd International Symposium on Gas Kinetics. Szeged (Hungary), 20‐25 July 2014. Poster presentation. ‐ Marrodán, L.; Royo, E.; Millera, Á.; Bilbao, R.; Alzueta, M.U. An updated kinetic mechanism for dimethoxymethane oxidation under high‐pressure conditions. 35th International Symposium on Combustion. San Francisco (USA), 3‐8 August 2014. Poster presentation. ‐ Marrodán, L.; Royo, E.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Oxidation of dimethoxymethane under high‐pressure conditions. 13th Mediterranean Congress of Chemical Engineering. Barcelona (Spain), 30‐3 October 2014. Poster presentation. ‐ Marrodán, L.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Compuestos oxigenados como aditivos para combustibles de automoción. 6ª Jornada de Jóvenes Investigadores de Aragón. Zaragoza (Spain), 20th November 2014. Oral presentation. ‐ Marrodán, L.; Monge, F.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Dimethoxymethane oxidation in a flow reactor. Ninth Mediterranean Combustion Symposium. Rhodes (Greece), 7‐11 June 2015. Oral presentation. ‐ Marrodán, L.; Millera, Á.; Bilbao, R.; Alzueta, M.U. From rich to lean conditions, dimethoxymethane oxidation modeling at high pressures. The 9th International Conference on Chemical Kinetics. Ghent (Belgium), 28‐2 July 2015. Poster presentation. ‐ Marrodán, L.; Arnal, J.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Kinetic modeling improvements in the high‐pressure oxidation of dimethyl ether. 24th International Symposium on Gas Kinetics. York (United Kingdom), 17‐21 July 2016. Poster presentation. ‐ Marrodán, L.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Mecanismos cinético‐químicos: cómo se forman y destruyen los contaminantes atmosféricos. 7ª Jornada de Jóvenes Investigadores (Química y Física) de Aragón. Zaragoza (Spain), 24th November 2016. Poster presentation. ‐ Marrodán, L.; Fuster, M.; Millera, Á.; Bilbao, R.; Alzueta, M.U. Etanol como aditivo para combustibles: estudio de la oxidación a alta presión de sus mezclas con acetileno. VI Jornada de Jóvenes Investigadores I3A. Zaragoza (Spain), 2nd June 2017. Poster presentation. ‐ Marrodán, L.; Arnal, J.; Millera, Á.; Bilbao, R.; Alzueta, M.U. High‐pressure ethanol oxidation and its interaction with NO. 13th International Conference Energy for a Clean Environment. São Miguel, Azores (Portugal), 2‐6 July 2017. Oral presentation. ‐ Marrodán, L.;
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