A Robust Method for the Estimation of Kinetic Parameters for Systems Including Slow and Rapid Reactions - From Differential-Algebraic Model to Differential Model
| Autor: | Valerie Eta, Tapio Salmi, Esko Tirronen, Johan Wärnå, Jyri-Pekka Mikkola, Dmitry Yu. Murzin |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Beräkningsmatematik
Bioengineering Signalbehandling Mathematical Analysis lcsh:Chemical technology Stability (probability) lcsh:Chemistry Reglerteknik Matematisk analys Convergence (routing) dimethyl carbonate Chemical Engineering (miscellaneous) Applied mathematics lcsh:TP1-1185 Sannolikhetsteori och statistik Probability Theory and Statistics Mathematics Estimation theory Process Chemistry and Technology Computational mathematics slow and rapid reactions robust parameter estimation Control Engineering Algebraic equation Nonlinear system Computational Mathematics lcsh:QD1-999 kinetics Ordinary differential equation Signal Processing Differential (mathematics) |
| Zdroj: | Processes, Vol 8, Iss 1552, p 1552 (2020) Processes Volume 8 Issue 12 |
| Popis: | Reliable estimation of kinetic parameters in chemical systems comprising both slow and rapid reaction steps and rapidly reacting intermediate species is a difficult differential-algebraic problem. Consequently, any conventional approach easily leads to serious convergence and stability problems during the parameter estimation. A robust method is proposed to surmount this dilemma: the system of ordinary differential equations and nonlinear algebraic equations is converted to ordinary differential equations, which are solved in-situ during the parameter estimation. The approach was illustrated with two generic examples and an example from green chemistry: synthesis of dimethyl carbonate from carbon dioxide and methanol. |
| Databáze: | OpenAIRE |
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