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Brazilian Journal of Chemical Engineering

Print version ISSN 0104-6632On-line version ISSN 1678-4383

Abstract

CASTRO, M.C.; VIEIRA, R.C.  and  BISCAIA JR., E.C.. Automatic differentiation tools in the dynamic simulation of chemical engineering processes. Braz. J. Chem. Eng. [online]. 2000, vol.17, n.4-7, pp.373-382. ISSN 0104-6632.  http://dx.doi.org/10.1590/S0104-66322000000400002.

Automatic Differentiation is a relatively recent technique developed for the differentiation of functions applicable directly to the source code to compute the function written in standard programming languages. That technique permits the automatization of the differentiation step, crucial for dynamic simulation and optimization of processes. The values for the derivatives obtained with AD are exact (to roundoff). The theoretical exactness of the AD comes from the fact that it uses the same rules of differentiation as in differential calculus, but these rules are applied to an algorithmic specification of the function rather than to a formula. The main purpose of this contribution is to discuss the impact of Automatic Differentiation in the field of dynamic simulation of chemical engineering processes. The influence of the differentiation technique on the behavior of the integration code, the performance of the generated code and the incorporation of AD tools in consistent initialization tools are discussed from the viewpoint of dynamic simulation of typical models in chemical engineering.

Keywords : Dynamic simulation; Automatic differentiation; DAE systems; Consistent initialization.

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