Author:
Salmi Tapio,Tirronen Esko,Wärnå Johan,Mikkola Jyri-Pekka,Murzin Dmitry,Eta Valerie
Abstract
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.
Subject
Process Chemistry and Technology,Chemical Engineering (miscellaneous),Bioengineering
Cited by
1 articles.
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