Titel Promotor Affiliaties "Korte inhoud" "Kwantificering van synergieën tussen energie-efficiëntie eerste principe en systemen voor hernieuwbare energie" "Dirk Saelens" "Bouwfysica en Duurzaam Bouwen" "The overall aim of sEEnergies is to quantify and operationalise the potentials for energy efficiency (EE) in buildings, transport and industry, combining this bottom-up knowledge with temporal and spatial analyses to develop an innovative, holistic and research-based EE-modelling approach going beyond current state-of-the-art science based knowledge and methodologies. Because the changes in one energy sector can contribute to impacts in another sector, it is only possible to have a comprehensive assessment and quantification of the EEFP policies impacts if we look at the energy systems from a holistic point of view and take into consideration the synergies between sectors. Therefore bottom-up sectorial approach and grid assessment, together with energy system modelling and spatial analytics is combined in the novel EE modelling approach.To achieve its aim, sEEnergies comprises a combination of in-depth knowledge on the consumption side and in-depth analyses of the energy systems that enables a detailed scientifically based pool of knowledge needed to make EE potentials concrete and operational, and as a resource on its own. Embedded in the applied project methodology is the identification of synergies across the supply chain and towards additional impacts not directly linked to the energy system. This nonenergy impacts can be very important benefits that are often invisible but which sEEnergies aims to operationalise to a larger extent on a sectoral, system and member state level. For each sector we will take as starting point the state-of-the-art including best practices, policies in place and energy and nonenergy impacts of EE, for the EU and for the 28 Member States. In order to maximise the outreach of sEEnergies’ results and the understanding of their importance, an online and user friendly GIS platform will be developed where EE impacts can be geographically visualised." "MHD Enhanced Entry System voor Ruimtevervoer" "Stefaan Poedts" Plasma-astrofysica "(Re-)entry into planetary atmospheres represents one of the most critical phases of space missions, involving high thermal loads on the vehicle surface and radio communication blackout which can last for minutes. As demonstrated with previous scientific studies, magneto-hydrodynamics (MHD) provides a framework for tackling both issues: high enough electromagnetic (EM) fields can be used to reduce heat fluxes and create a magnetic windowing able to mitigate the blackout. However, the translation of those ideas into an operational radically-new science-enabled technology to be used onboard spacecrafts has not been achieved yet. MEESST aims at filling the gap between science and technology towards the development of a first demonstrator implementing active magnetic shielding. To this end, a disruptive device consisting of a compact cryostat integrating a superconductive magnet able to generate sufficiently strong magnetic fields will be designed, manufactured, tested in on-ground experimental plasma facilities and via numerical simulations relying upon improved models. The latter will take into account, for the first time, all relevant EM-plasma interactions, thermochemical nonequilibrium and radiation effects for both Earth and Mars atmospheres. As a result, a radically-new science-enabled proof-of-concept technology will be developed and deployed, together with enhanced experimental techniques and modelling tools which can contribute to push European space technology one step ahead the competition, worldwide. The success of MEESST can introduce a paradigm shift in aerospace science and technology by turning active magnetic shielding (i.e. a futuristic concept traditionally associated to science fiction) into reality and potentially into the spotlight, not just for space travel but also for future hypersonic transportation systems, radar imaging, surveillance and GPS navigation, all requiring accurate knowledge of EM signal propagation characteristics through plasmas." "Silicium Alloying Anodes voor High Energy Density Batterijen bestaande uit Lithium Rich Cathodes en Safe Ionic Liquid Elektrolyten voor Enhanced High VoltagE Performance." "Wim Dewulf" "Maakprocessen en -Systemen (MaPS)" "Si-DRIVE will develop the next generation of rechargeable Li-ion batteries, allowing for cost competitive mass market EVs by transformative materials and cell chemistry innovations, delivering enhanced safety with superior energy density, cycle life and fast charging capability using sustainable and recyclable components.The technology encompasses amorphous Si coated onto a conductive copper silicide network as the anode with polymer/ionic liquid electrolytes and Li-rich high voltage (Co-free) cathodes via processes that are scalable and demonstrably manufacturable within Europe.The components have been demonstrated at TRL3 through preliminary lab-scale analysis, with a clear component improvement strategy to arrive at a TRL5 prototype demonstration by the end of Si-DRIVE. Comprehensive theoretical and experimental studies will probe and control interfacial processes that have heretofore limited Li-ion technologies to incremental gains, guiding materials design and eliminating capacity fade mechanisms.The Si-DRIVE technology will exceed the stringent demands of EV batteries where safety is paramount, by dramatically improving each component within the accepted Li-ion platform and achieving this in a market competitive process with whole of life considerations. The technology will also demonstrate suitability for 2nd life applications at reduced energy density beyond the primary EV lifetime, prior to cost effective materials recycling, consistent with a circular economy.The Si-DRIVE consortium boasts the required academic and industrial partner expertise to deliver this technology and spans material design and synthesis, electrochemical testing, prototype formation and production method validation, life cycle assessment and recycling process development." "The Energy Box" "Greet Van Eetvelde" "Vakgroep Civiele Techniek, Vakgroep Elektromechanica, Systeem- en Metaalengineering" "The Energy Box (TEB) is een demonstrator van nieuwe technologieën op het vlak van duurzame energie gevestigd op het Greenbridge wetenschapspark in Oostende. TEB demonstreet, interageert met en commercialiseert innovatieve en combinatieve, marktrijpe energieconcepten die bestemd zijn voor zowel particulier als professioneel gebruik met het oog op zowel energieproductie als energie-efficiëntie.TEB richt zich specifiek naar KMO's, in het bijzonder start-ups en spin-offs, die de weg naar de markt nog niet gevonden hebben.T2B, een economisch samenwerkingsverband van professionele consultants, biedt de TEB techs ondersteuning op technologisch, financieel en juridisch vlak alsook op gebied van industriële marketing en HR." "Op weg naar een op Remote Sensing gebaseerde schatting van de fotosynthetische energy balance (ReSPec)" "Ivan Janssens" "Planten- en Ecosystemen (PLECO) - Ecologie in tijden van verandering" "Radiometrische sensoren gemonteerd op satellieten en vliegtuigen zijn de enige technologie die ruimtelijk voorziet expliciete informatie over vegetatie-activiteit en gezondheid op regionale tot wereldwijde schaal. Met name de recente beschikbaarheid van op afstand waargenomen zon-geïnduceerde fluorescentie (F), die direct gekoppeld is aan het fotosyntheseproces, opent nieuwe perspectieven voor het schatten van fotosynthese van planten op grotere schaal. Gezien de recentelijk geselecteerde satelliet Fluorescentie Explorer (FLEX) -missie door het Europees Ruimtevaartagentschap (ESA) die in 2022 van start gaat, moeten nieuwe methoden worden ontwikkeld om het F-signaal optimaal te gebruiken voor een verbeterde algemene schatting van fotosynthese. ""ReSPEc"" heeft tot doel nieuwe algoritmen te ontwikkelen voor het verbeteren van de schatting van fotosynthese van ecosysteem tot regionale schaal (bruto primaire productie; GPP). Om dit doel te bereiken, worden open-veld manipulatie-experimenten opgezet om een semi-mechanistisch model te ontwikkelen en te testen dat nieuwe en gevestigde optische signalen verbindt met gasuitwisselingsmetingen. Het semi-mechanische model wordt vervolgens toegepast op bestaande datasets van gemeten fluorescentie en vegetatie reflectantie om GPP op ecosysteemschaal te schatten. De resultaten zullen worden vergeleken en gevalideerd met op eddy-covariantie gebaseerde schattingen van GPP. De resultaten van dit project zullen bijdragen tot een beter begrip van de fotosynthetische energiebalans op blad-, plant- en ecosysteemschaal, wat op zijn beurt een verbeterde schatting van GPP mogelijk maakt." "SYSTEX-Coordination action for enhancing the breakthrough of intelligent textile systems (e-textiles and waerable Microsystems)" "Lieva Van Langenhove" "Vakgroep Materialen, Textiel en Chemische Proceskunde" "Draagbare elektronica geïntegreerd of getransporteerd in textielsystemen vormen een nieuwe generatie producten die zowel economisch als maatschappelijk belangrijk zijn. SYSTEX wil alle op dit gebied actieve partners in Europa samenbrengen en aldus de talrijke resultaten die momenteel beschikbaar zijn groeperen. Het project wil textiel en organische elektronica samenvoegen. Door overeenkomsten op te stellen tussen gelinkte projecten moet de uitwisseling van kennis en materialen op een hoger niveau gebracht worden. Via een web tool zal informatie verzameld en beschikbaar gemaakt worden over de technische en niet-technische aspecten van RTD en commercialisatie van intelligent textiel. Zowel trainingsmateriaal als demonstrators zullen verzameld worden niet alleen voor specialisten maar ook voor een ruimer publiek. Dit project wil een uniek contactpunt worden voor alle met intelligent textiel gerelateerde zaken waarbij bestaande initiatieven met elkaar gekoppeld worden en de activiteiten verder aangevuld worden." "CCMOBIUS:Designing viable Möbius Aromatic Systems using Computational Chemistry." "Paul Geerlings" Scheikunde "The EU funded research project CCMOBIUS was focused on the design of novel Möbius aromatic compounds from expanded porphyrins with applications as non-linear optical materials and molecular switches using computational chemistry methods. Although the concept of Möbius aromaticity was proposed on 1964, the synthesis of the first Möbius molecule was a challenge during forty years since the implementation of a smooth conjugated pi network and a twisted conformation in a single molecule is not easy. Only recently, expanded porphyrins were shown to have definite advantages in the formation of Möbius aromatic molecules such as (i) overall conformational flexibility, (ii) multiple oxidation states which can be easily interconverted by two-electron redox reactions, (iii) ability to invert, or “flip out”, the pyrrolic subunits and (iv) possibility of “locking in” Möbius conformations through metallation by the formation of both N-metal and C-metal bonds. Besides the Möbius topology, these large macrocycles adopt a variety of intriguing structures, such as planar or chiral figure-eight conformations, which can be interconverted under certain conditions (temperature, solvent, pH, etc). The vast structural diversity and the extended pi-conjugation pathway exhibited by expanded porphyrins has led to diverse applications such as ion sensors, near-infrared dyes, two-photon absorption materials, and nonlinear optical materials. Interestingly, the photophysical properties are strongly dependent on the conformation and aromaticity/antiaromaticity of the π-electron system. Therefore, the control of the molecular topology is crucial for most applications. In order to find the optimum conditions for Möbius aromatic expanded porphyrin, we have carried out a quantum chemical study focusing on diverse aspects such as conformational analysis, dynamical switch between Hückel and Möbius structures, aromaticity and metal-ligand interactions. Furthermore, different conformational control methods have been explored in our research such as solvent, protonation and meso-substituents. In this period, the conformations and properties of penta-, hexa- and heptaphyrins has been investigated using mainly Density Functional Theory (DFT) methods. As the role of the aromaticity, strain and metallation in the stability of Möbius aromatic compounds is unclear in advance, we have evaluated them independently using different combination of macrocycles (small vs large porphyrin ring), substituents at the meso-positions and metals (group 10 vs. group 11 metals). First, we were focused on expanded porphyrins without metals with different macrocycle size and oxidation state, and then the metallation behaviour was investigated. The conformational stability depends on various factors, such as the ring strain of the macrocycle, intra/intermolecular hydrogen bonding, steric effects of meso-substituents and aromaticity. We have proposed a set of descriptors to quantify independently the contribution of the different factors. Aromaticity has been quantified using energetic, magnetic, structural and reactivity criteria, whereas the steric effects of the substituents were analysed in terms of the non-covalent interaction index. For the first time, aromatic stabilization energies, magnetic susceptibility exaltation and relative hardness were computed for expanded porphyrins. From the correlation analysis, it was proven that magnetic descriptors together with the relative hardness are the best indices to quantify both Möbius and Hückel aromaticity. The torsional descriptors together with the aromaticity indices are shown to be very useful for identifying porphyrinoids with an optimum balance between the ring strain imposed by the twist and the energy stabilization due to aromaticity. First of all, the viability of Möbius topologies in [26] and [28]hexaphyrins(1.1.1.1.1.1) was investigated since they are among the most studied macrocycles in the area of expanded porphyrins. A large amount of experimental information on their conformations is currently available, being certainly appropriate to test the novel computational approach. We found that the conformation of the hexaphyrin macrocycle is strongly dependent on the oxidation state. [26]hexaphyrin strongly prefers a Hückel conformation, planar and highly aromatic, whereas Hückel and Möbius conformers coexist in dynamic equilibrium for the [28]hexaphyrin. The conformational equilibrium of [28]hexaphyrin is quite sensitive to the solvent and, importantly, the twist induces a dramatic change in the magnetic properties and reactivity of the macrocycle. These features make [28]hexaphyrin suitable for the development of molecular switches with practical applications. Secondly, the developed computational approach was applied to determine the conformational preferences and the topological interconversion pathways in neutral and protonated [32]heptaphyrins(1.1.1.1.1.1.1). In the neutral state, the antiaromatic figure-eight conformation is preferred over the aromatic Möbius topology due to its more effective hydrogen bonding, although a Hückel-Möbius aromaticity switch is feasible with a low activation barrier. The conformational equilibrium is solvent-dependent, so polar solvents further stabilize the Möbius strip structure. In addition, conformational control of neutral [32]heptaphyrins can be effectively achieved by meso-substituents and protonation. It is found that the two-photon absorption (TPA) cross-section value increases significantly in the triprotonated heptaphyrins due to the formation of aromatic Möbius species. A similar approach was then applied to the family of pentaphyrins. Pentapyrrolic macrocycles are drug leads for photodynamic therapy. However, attempts to synthetize fully meso-substituted pentaphyrins resulted unexpectedly in the isolation of N-fused systems in two stable oxidation states. Interestingly, we found that removing only one substituent provides stable aromatic non-fused [22]pentaphyrin with a high TPA cross-section value. On the contrary, the N-fusion reaction is thermodynamically favoured in [24]pentaphyrins due to the release of strain, so they are expected to be quite unstable. A weakly aromatic N-fused [24]pentaphyrins with Möbius topology is provided by the trifluoromethyl substituent, although the large dihedral angles preclude effective delocalization in pentapyrrolic macrocycles. In short, Möbius topologies turns out to be indeed accessible for [4n] pi expanded porphyrins, although fully aromatic Möbius structures are only achievable by protonated [32]heptaphyrin and [28]hexaphyrin, among the investigated compounds. A close relationship between the molecular topology, the number of pi electrons, aromaticity and photophysical properties is found. Regarding to the metal effect, we found that the group 10 metals (Ni2+, Pt2+, Pd2+) locked the Möbius conformation in the [28]hexaphyrin, whereas the group 11 metals (Cu3+, Ag3+, Au3+) provide antiaromatic Hückel-type complexes. On the other hand, the metal complexes of [26]hexaphyrin provides aromatic Hückel structures with novel metal-carbon bonds. The computational results reveal novel coordination abilities and a variety of metal complexes depending upon the oxidation state of the ligand and the metal ion. The computed metal affinities might be important for the development of practical sensors for the quantification of metal ions in environmental samples. Our computational results are in excellent agreement with the experimental data available for penta-, hexa- and heptaphyrins and provide a fully description and comprehension of the Möbius aromaticity. It is shown that computational chemistry is a powerful tool in the design of Möbius aromatic expanded porphyrins and promising molecular switches and our theoretical results can be used as a guide for experimental groups in academic and industrial environments. In addition, the knowledge derived from this project could assist the design of novel porphyrin nanodevices for photovoltaic, photonic and biomedical applications." "Modelvoorspellende controle en innovatieve systeem Integratie van geotabs in hybride laagwaardige thermische energiesystemen - Hybride MPC GEOTABS" "Lieve Helsen" "Toegepaste Mechanica en Energieconversie (TME)" "The MPC-: GT project brought together a transdisciplinary team of SMEs, large industry and research institutes, experienced in research and application of design and control systems in the combined building and energy world. Based on prior research, supported by (joint) EU and national projects, and practical experience the bottlenecks where identified that prevent at this moment a real breakthrough of geothermal heat pumps (GEO-HP) combined with thermally activated building systems (TABS) - GEOTABS. Solutions, which need to be implemented in an integrated way, were identified and sufficient proof of concept was gathered to join forces in a RIA.The innovative concepts aim at increasing the share of low valued (low-grade) energy sources by means of using low exergy systems on the one hand and aim at upgrading low/moderate temperature resources on the other hand.The overall solution consists of an optimal integration of GEOTABS and secondary supply and emission systems.To allow for an optimal use of both the GEOTABS and the secondary system, a split will be made between a so-called “base load” that will be provided by the GEOTABS and the remaining energy needs that should be supplied by the secondary system. A generic rule, eliminating case-by-case simulation work, will be developed.The second part of the proposed solution aims at a white box approach for Model Predictive Control (MPC) to generate a controller model with precomputed model inputs such as disturbances and HVAC thermal power to avoid case by case development. Research is needed to assess the overall performance and robustness of such an approach towards uncertainties.As such, the MPC-: GT consortium believes to have identified an integrated solution that will provide a near optimal design strategy for the MPC GEOTABS concept using optimal control integrated design. The solution will support the industry, especially the SME members, to expand their activities and strengthen their competitiveness." "Aanpasbare reactoren voor resource- en energie-efficiënte methaanvalorisatie." "Georgios Stefanidis" "Procestechnologie voor Duurzame Systemen (ProcESS)" "In ADREM, leading industries and university groups in process intensification, catalytic reactor engineering and process control team up to address the domain of resource- and energy-efficient valorisation of variable methane feedstocks to C2+ hydrocarbons. The development of new and intensified adaptable catalytic reactor systems for flexible and decentralized production at high process performance is in focus, able to operate with changing feedstock composition and deliver “on-demand” the required product distribution by switching selected operational/control parameters and/or changing modular catalyst cartridges. In the long term, we expect the reactors to operate energy- and emission-lean using green electricity as the direct, primary energy source.In order to converge to the optimal design, the project will utilize the unique integral, four-domain process intensification (PI) methodology, pioneered by the consortium. This is the only approach able to deliver a fully intensified equipment/process. The key feature is the systematic, simultaneous addressing of the four domains: spatial, thermodynamic, functional and temporal.ADREM will provide:highly innovative, economic and environmentally friendly processes and equipment for efficient transformation of methane into useful chemicals and liquid fuels, for which monetary savings of more than 10% are expected.process technologies applying flexible modular one-step process with high selectivity for valorisation of methane from various sources.modular (and containerized and mobile) reactors permitting flexible adaptation of the plant size to demand and also utilizing smaller or temporary sources of methane or other feeds.The project will employ emerging reactor technologies coupled to especially designed catalytic systems to address a variety of scenarios embodying methane valorisation. The concepts developed can be later readily extrapolated on other types of catalytic processes of similar sizes." "Kosteneffectieve en repliceerbare, met hernieuwbare energiebronnen geïntegreerde geëlektrificeerde verwarmings- en koelsystemen voor verbeterde energie-efficiëntie en vraagrespons" "Lieve Helsen" "Toegepaste Mechanica en Energieconversie (TME)" "SEEDS unites a multidisciplinary and complementary team of SMEs, LEs, RTOs, and stakeholders that constitute the whole (local) value chain of energy efficiency in buildings and thermal demand electrification, from planning, design, and construction to operation and commissioning. SEEDS is built upon the consortium's vast experience in developing, testing, and valorizing decarbonization solutions, supervising real-life demonstrations of building renovation and smartification, and deploying energy flexibility. SEEDS demonstrate replicable heat pump solutions integrated with renewable energy to decarbonize buildings' thermal demand. Addressing that every building is unique and requires tailored solutions to be cost-efficient and energy efficient, we develop scalable and generic design and operational optimization methodologies, deploy multiple proven heat pump technologies at scale, and optimally integrate them into the building and broader energy system. SEEDS demonstrates these (up to TRL6-8) in 6 pilot sites (incl. 1 replication site), providing real-world settings spread across the different climate zones and European construction markets. SEEDS is centered around three key themes: cost efficiency through optimization, system integration through holistic design and control, and replicability through configuration modularity and scalable building types. These are addressed in 7 focus areas: 1) Iterative design of the component and integrated system, 2) Secure and interoperable data platforms and IoT, 3) Integrated system optimization for energy efficiency and flexibility, 4) Deploying energy flexibility to enhance grid stability, 5) Replication strategies, exploitation, and business models, 6) Decision making support framework for replication, and 7) Dissemination, communication, and stakeholder outreach. Thanks to the 27 partners' wide-reached field of impact and networks, SEEDS is set out to boost the electrification of thermal demand in buildings."