Implementation and Application of Model-Based Design of Experiments in a Flowsheet Simulator
| Autor: | Maria Yliruka, Jonas Mairhofer, Johannes Höller, Jan Schwientek, Michael Bortz, Norbert Asprion, Charlie Vanaret, Roger Böttcher |
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| Přispěvatelé: | Publica |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Chemistry
Process development General Chemical Engineering 02 engineering and technology General Chemistry 010402 general chemistry 01 natural sciences 0104 chemical sciences 020401 chemical engineering Model-based design 0204 chemical engineering Process simulation Selection (genetic algorithm) Reliability (statistics) Simulation |
| Popis: | The benefit of model-based process simulation and optimization to enhance and improve process development depends on the reliability of the underlying model. Its selection and the values of the model parameters must be validated with experimental results. This work demonstrates that a model-based design of experiments integrated in a steady-state process flowsheet simulator supports model discrimination and parameter estimation and therefore increases the reliability of models and their parametrization. Realistic use cases including simulated vapor-liquid equilibria experiments for 2 binary systems (methanol + water for estimating parameters of an NRTL model and methanol + n-butane for selection of a PC SAFT association scheme) besides simulated plant experiments of a cumene plant for the estimation of kinetic parameters are chosen for an illustrative demonstration. Furthermore, details about the practical implementation and the workflow are given. |
| Databáze: | OpenAIRE |
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