Publication: Estudio por simulación de transiciones de fase iniciadas por nucleación
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2021-03-22
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Universidad Complutense de Madrid
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Abstract
Este trabajo titulado “Estudio por simulación de transiciones de fase iniciadas por nucleación” tiene como eje central el estudio del proceso de nucleación. La nucleación es el fenómeno físico por el cual una fase metaestable (por ejemplo, un líquido calentado por encima de su temperatura de ebullición) sufre un cambio de fase de primer orden y se convierte en la fase estable a las condiciones a las que se encuentra. Este proceso que estamos acostumbrados a ver en nuestra vida cotidiana (congelación de agua en el frigorífico, ebullición en la olla etc.) suele darse de manera heterogénea, es decir, la fase creciente lo hace ayudada de las impurezas o las paredes presentes en el sistema. Sin embargo, la ciencia se encuentra aún lejos de entender este proceso heterogéneo y los esfuerzos se centran en la nucleación homogénea, es decir, aquella que se da sin ayuda ni de impurezas ni de paredes y que resulta más sencilla de estudiar. El estudio de los fenómenos de nucleación de manera experimental es especialmente complejo, debido a que este proceso tiene una naturaleza estocástica, aleatoria. Esto quiere decir que no se conoce ni el momento exacto ni el lugar exacto en el que se dará...
In this work, “Simulation studies of phase transitions initiated by nucleation”,the central axis is the study of the nucleation process. Nucleation is the physical phenomenon by which a metaestable phase (for instance, a liquid heated beyond its boiling point) changes by a first order phase transition and becomes the stable phase at those thermodynamic conditions. This process, very common in our day to day life (freezing of water in the refrigerator or boiling in the pot), its usually heterogeneous, that is, it is enhanced by impurities or walls in the system. However, these heterogeneous processes are harder to understand and today’s efforts are focused on homogeneous nucleation, that is, that where no impurities or walls are present, which is easier to study. The study of nucleation phenomena by means of experiments is complex, mostly due to the random nature of the process. This means that neither the exact spot nor the exact time of occurrence of the nucleation is know...
In this work, “Simulation studies of phase transitions initiated by nucleation”,the central axis is the study of the nucleation process. Nucleation is the physical phenomenon by which a metaestable phase (for instance, a liquid heated beyond its boiling point) changes by a first order phase transition and becomes the stable phase at those thermodynamic conditions. This process, very common in our day to day life (freezing of water in the refrigerator or boiling in the pot), its usually heterogeneous, that is, it is enhanced by impurities or walls in the system. However, these heterogeneous processes are harder to understand and today’s efforts are focused on homogeneous nucleation, that is, that where no impurities or walls are present, which is easier to study. The study of nucleation phenomena by means of experiments is complex, mostly due to the random nature of the process. This means that neither the exact spot nor the exact time of occurrence of the nucleation is know...
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Tesis inédita de la Universidad Complutense de Madrid, Facultad de Ciencias Químicas, Departamento de Química Física, leída el 30-11-2020