Two main aspects will be studied theoretically. On the one hand, the designed conjugated porous polymer structure will be modeled by means of force-field methodologies. On the hand, electronic structure calculations, mainly based on density functional theory, will be performed in order to determine molecular properties including optical features as well as the specific photocatalytic reaction mechanism. Fundamentaly, it will be studied solar fuels production by artificial photosynthesis processes as sustainable energy source.
In order to address the nowadays challenges faced by the Circular Economy frame, biomass is the most promising renewable carbon source alternative to oil and coal. In this raw material, terpenes are prominent molecules since they show double bonds able to be oxidized for giving rise epoxides, appealing building-blocks for the preparation of a wide variety of commodities as well as fine products. In addition, sulfide oxidation is currently of much interest because it is related with a new alternative for the desulfurization of fuels that allow to avoid the use of hydrogen. Then, getting the oxidation process in mild conditions and catalytically could be an interesting way of biomass transformation. As such, the group at the University of Alcala has a strong experience in the tailoring of molecular catalysts for polymerization, hydrogenation and oxidation processes. On its side the groups form IMDEA Energía, have a strong experience in the development of both inorganic and organic semiconductors and hybrid materials with photocatalytic properties. In addition, their research activities are also focused on the development of photocatalytic processes related to energetic and environmental applications. These actions are completed with structure-reactivity relationship studies using a combination of in-situ characterizations tools and theoretical calculations. Our specific facilities are fully equipped laboratories for the synthesis and characterization of the catalysts and for studying catalytic processes.
Energy management and control of PV dominated microgrids has gained importance in recent years. The objective of the project is to develop novel planning and operating methods for such micgrogrids,primarily based on inverters interfacing PV and energy storage devices. The transient and small-signal stability aspects should be addressed as well as the development of novel control algorithms for primary, secondary and tertiary control. The microgrids should operate in both grid-connected and islanded modes and provide a smooth transition between the two.
This line of research addresses new polygeneration power plant designs integrating one or several renewable resources, being concentrating solar energy one of them, and solar heat inindustrial processes (SHIP). For instance, potential applications are hybrid micro gas turbines using concentrating solar energy for combined heat and power generation to fully cover electric and thermal energy demands of a city district or hydrid systems using photovoltaics and solar thermal. Another use is related to large-scale solar fuel production, which would have a major impact on a sustainable future transportation sector.
Statistical and Deep Learning to improve the desing of new materials for selective reaction of energetic interest
There is a huge interest on the study and design of new materials and their application on selective reactions of energetic interest for the sustainable fuels production and energy storage via artificial photosynthesis (CO2 reduction and water splitting). There is a vast body of literature about how to design and characterizations these new materials, both theoretical and experimental, which represent a huge labelled dataset
Concentrated Solar Power (CSP) plants components should work in extreme conditions, from the functional and structural points of view. The central receiver is an example where it is necessary to modify the surface of the metallic component with solar selective absorber coatings. From the functional point of view, both high solar absorptance (a) and low thermal emittance (b) are required in these coatings to convert sunlight to thermal electric power.
Metal organic frameworks (MOFs) are hybrid crystalline materials, exhibiting high specific surface areas, controllable pore sizes and surface chemistry. These properties have made MOFs attractive for a wide range of applications including gas separation, gas storage and catalysis. They are one of the most promising candidates for CO2 capture due to their adsorption selectivity towards CO2.
This research line tries to fill this gap, proposing the development of new approaches based on the combination of life cycle sustainability assessment (LCSA), including environmental, social and economic aspects; and MCDA tools. This combination aims to constitute a robust framework for assessing sustainability, monitoring the progress towards the SDGs and supporting an enhanced process of decision-making.
Four central activities are expected: 1) Development of an SDG-oriented LCSA approach; 2) Development of an MCDA framework; 3) Combination in a tool oriented towards decision-makers; 4) Application of the tool through a set of illustrative case studies.
This Group is focused on the legal aspects of the Energy Transition. The achievement of such challenging goal imposes an important reassessment of the legal and institutional framework. It is needed to update classic categories and to add new legal tools and regulations on matters which still are at a research and demonstration stage.
Scientific data mining is catching attention since it can find answers in data where traditional methods are incapable. Lately, computing learning techniques are applied to new virtual scenarios such as medical and biological data. By applying datelining techniques, this project aims to find a relationship between the material and decisions made during the production of the devices to get decision support to produce high-efficient synthetic photosynthesis devices.