Abstract:Abstract:Performing an experimental design prior to the collection of data is in most circumstances important to ensure efficiency. The focus of this work is the combination of model-based and statistical approaches to optimal design of experiments. The knowledge encoded in the model, is used to identify the most interesting range for the experiments via a Pareto optimization of the most important conflicting objectives. Analysis of the trade-offs found is in itself useful to design an experimental plan. This … Show more
“…This is a big advantage compared to having only the information on a single optimal point supplied by the traditional single-objective approach. The MCO approach is general and has also been used in product and process design [13]- [18] and in optimal design of experiments [19].…”
Digitalization is about data and how they are used. This has always been a key topic in applied thermodynamics. In the present work, the influence of the current wave of digitalization on thermodynamics is analyzed. Thermodynamic modeling and simulation is changing as large amounts of data of different nature and quality become easily available. The power and complexity of thermodynamic models and simulation techniques is rapidly increasing, and new routes become viable to link them to the data. Machine learning opens new perspectives, when it is suitably combined with classical thermodynamic theory. Illustrated by examples, different aspects of digitalization in thermodynamics are discussed: strengths and weaknesses as well as opportunities and threats.
“…This is a big advantage compared to having only the information on a single optimal point supplied by the traditional single-objective approach. The MCO approach is general and has also been used in product and process design [13]- [18] and in optimal design of experiments [19].…”
Digitalization is about data and how they are used. This has always been a key topic in applied thermodynamics. In the present work, the influence of the current wave of digitalization on thermodynamics is analyzed. Thermodynamic modeling and simulation is changing as large amounts of data of different nature and quality become easily available. The power and complexity of thermodynamic models and simulation techniques is rapidly increasing, and new routes become viable to link them to the data. Machine learning opens new perspectives, when it is suitably combined with classical thermodynamic theory. Illustrated by examples, different aspects of digitalization in thermodynamics are discussed: strengths and weaknesses as well as opportunities and threats.
“…The combination of sensitivity analysis and multi‐objective optimization could be used to either show the variability of optimization results or for robust (worst case) and stochastic process optimization , . A design of experiments could be used to plan optimal experiments for parameter estimation, when sensitivities – either local based on derivatives or global resulting from a global sensitivity analysis – are available.…”
Section: Modeling Simulation and Optimization 40mentioning
Simulation is besides experimentation a key technology in design, analysis and operation of distillation columns. The reliability of simulations to answer questions concerning the real process strongly depends on model quality, which needs to be reliable and predictive. Usually available plant data can be used to validate and if necessary, to improve the model. In this contribution challenges and opportunities of a continuous model improvement in a flowsheet simulator with emphasis on new possibilities triggered by digitalization will be discussed.
“…An adaptive sampling algorithm was used here to compute the Pareto front in an efficient manner, following previous works [37][38][39]. The same method has furthermore been applied successfully in previous studies for solving MCO tasks in product and process design [39,[41][42][43][44][45][46], optimal experimental design [47], parameter estimation of molecular simulations [35] and parameter estimation of equations of state [36]. It is an algorithm [37][38][39] that calculates a minimal number of Pareto-optimal solutions and the linear interpolation between them, which approximates the Pareto front within a predefined quality.…”
Section: Algorithm For Finding An Approximation Of the Pareto Frontmentioning
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