PSDI develops computer-aided technologies and tools aiming to provide venues for innovation through highly performing, practical and immediately applicable solutions in the areas of process and energy conversion systems:
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MODELING AND SIMULATION This activity involves modeling of complex static and dynamic process systems to predict process behaviour under nominal operating conditions. The models include distribution of properties in multiple dimensions (time, space and structure). Furthermore, mathematical methods are researched and developed for process model reduction to enable their use in real-time applications (control, optimization). These principles have been successfully applied in hybrid renewable power generation systems with hydrogen storage. |
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MATERIALS SYNTHESIS AND DESIGN This activity involves the development of novel materials using Computer-Aided Molecular Synthesis and Design (CAMD) technologies. The developed tools enable the systematic investigation of millions of innovative pure or blended molecules that can be used as intermediate products in separation, reactive separation and power generation applications. The employed technologies facilitate the fast (few minutes), cost-efficient, automated and accurate identification of materials with desired features. |
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OPTIMAL DESIGN THROUGH INTEGRATION OVER DIFFERENT MODELING AND TEMPORAL SCALES This is a horizontal activity supporting efficient decision making between different modeling and temporal scales; from the design and selection of efficient materials to the development of complex process and energy conversion flowsheets. Research focuses on the development of methods to systematically convey the effects of molecular phenomena across industrially relevant scales and levels (unit operations, process flowsheets etc.). |