Predicción del cambio de fase en suspensiones de materiales de cambio de fase usando simulación molecular: A Molecular Simulation Approach

Authors

DOI:

https://doi.org/10.31908/19098367.3302

Keywords:

descriptores moleculares, dinámica molecular, eficiencia energética, materiales de cambio de fase

Abstract

 Se realizaron simulaciones de dinámica molecular a diferentes temperaturas, para estudiar la transición de fase y las propiedades termo físicas de suspensiones de octadecano–agua como material modelo para la mejora de la eficiencia energética en materiales de construcción. Se analizaron coeficientes de difusión, funciones de distribución radial, volumen específico, correlaciones rotacionales y conductividad térmica en función de la temperatura. Todos estos descriptores identificaron de manera consistente la transición de fase entre 308 y 318 K, confirmando la validez del método utilizado. Aunque la temperatura de transición simulada es ligeramente superior a la experimental, se reprodujeron adecuadamente las propiedades termo físicas experimentales, lo cual demuestra que la dinámica molecular es una herramienta fiable para el análisis y optimización de materiales de almacenamiento térmico, cuya finalidad es la mejora de la eficiencia energética en el sector de la edificación.

 

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Author Biographies

  • I. Lado-Touriño., Universidad Europea de Madrid

    She received the Ph.D. degree in Chemical Sciences (Physical Chemistry) from the University of Santiago de Compostela, Santiago de Compostela, Spain, in 1996. From 1996 to 2001, she was Associate Professor at the Institut Supérieur des Matériaux du Mans, Le Mans, France. Since 2001, she has been a faculty member at Universidad Europea de Madrid, Spain, where she is currently Full Professor and Principal Investigator of the NANO-UEM Research Group. Her professional experience includes university teaching, supervision of undergraduate and postgraduate theses, and leadership of competitive research projects. Her research focuses on molecular simulation of nanomaterials for biomedical applications and energy-related technologies.

  • Rosario G. de Merodio Perea, Universidad Europea de Madrid,

    Rosario Gómez de Merodio Perea received a B.Sc. in Industrial Engineering from Universidad Politécnica de Madrid, Spain, in 2008, an M.Sc. in Industrial Engineering from Universidad Europea de Madrid, Spain, in 2011, an M.Sc. in Education and ICT from Universitat Oberta de Catalunya, Spain, in 2015, and a Ph.D. in Control Engineering and Intelligent Systems for Health and Environment from Universidad Europea de Madrid, Spain, in 2023 (Extraordinary Doctorate Award, 2024). She is currently Associate Professor and Vice-Dean of the Design and Management area at Universidad Europea de Madrid. In 2024, she served as Director of the Online Department in the Faculty of Design and Creative Technologies. Previously, she worked as an industrial engineer at EULEN S.A. and at General Electric. Her research activity focuses on molecular modeling and simulation applied to advanced materials, sustainable cementitious composites, nanomaterials, and energy efficiency.

  • O. Bernaldo-Pérez, Universidad Europea de Madrid

    Olga Bernaldo holds a PhD in Multidisciplinary Engineering from the European University of Madrid (2017), a master’s degree in Renewable Energies from the same university (2013), and a bachelor’s degree in Geological Sciences from the Complutense University of Madrid (1995). She currently works as the director of the master’s program in Renewable Energy Transition in the Department of Industrial Engineering and as a lecturer in the Department of Civil Engineering at the European University of Madrid (Spain). Previously, she worked at IIC and later as director and CEO of Mekano Instrumentación, where she focused on the instrumentation and monitoring of civil engineering projects. Her research interests include Sustainable Development and its implementation in Higher Education Institutions; International Development Cooperation and Sustainability in areas related to water, renewable energies, and energy efficiency; and the study and analysis of learning methodologies, having participated in various projects.

  • N. López-Pérez, Universidad Europea de Madrid

    A professor at Tecnológico Nacional de México. Instituto Tecnológico de Pachuca. Previously, she served as Head of the High Voltage Laboratory Test, Plant Quality Manager, and Quality & Continuous Improvement Coordinator for 10 years in world-class electrical companies such as AEG, Alstom, and Areva. She holds a B.Sc. in Electrical Engineering from Instituto Tecnológico de Pachuca and an M.Eng. in Quality and Productivity from Instituto Tecnológico y de Estudios Superiores de Monterrey. She is currently enrolled in the Doctorate Program Industrial Instrumentation (Universidad Europea de Madrid), applied to intelligent transport and sustainable energy, with the doctoral project: Development and characterization of new phase change materials to improve the energy efficiency of buildings. Additionally, she conducted research focused on innovation and linkage models. 

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Published

2026-08-04

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Vol. 20 No. 40 (2026)

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Copyright (c) 2026 Isabel Lado-Touriño, Rosario Gómez de Merodio Perea, Olga Bernaldo Pérez, Norma López Pérez

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How to Cite

[1]
I. Lado Touriño, R. Gómez de Merodio Perea, O. Bernaldo Pérez, and N. López Pérez, “Predicción del cambio de fase en suspensiones de materiales de cambio de fase usando simulación molecular: A Molecular Simulation Approach”, Entre cienc. ing., vol. 20, no. 40, pp. 9–16, Aug. 2026, doi: 10.31908/19098367.3302.
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