Adjoint method for parameter identification problems in models of stirred tank chemical reactors

作者：Benitez M^*; Bermudez A; Rodriguez Calo J F

来源：Chemical Engineering Research and Design, 2017, 123: 214-229.

DOI：10.1016/j.cherd.2017.04.028

• Chemical kinetics
• Adjoint method
• Inverse problem
• ODE-constrained optimization

In this paper an adjoint-based algorithm for parameter identification problems in systems of ordinary differential equations (ODEs) is presented. This is done by solving a minimization problem in which the cost function is defined in order to quantify the mismatch between the observed data and the numerical solution of the ODEs. Most of existing local minimizers need the derivatives of both the cost function and the constraints that are usually calculated by finite-difference formulas. In this paper we show how they can be computed much more efficiently and accurately by the so-called adjoint method. We apply this method to the problem of estimating a set of unknown parameters appearing in chemical reaction models. Numerical results showing the efficiency of the adjoint method are included.

• 出版日期2017-7