Open AccessAutomatic differentiation tools in the dynamic simulation of chemical engineering processes
Author(s) -
Marcelo Chaves De Castro,
R.C. Vieira,
Evaristo C. Biscaia
Publication year - 2000
Publication title -
brazilian journal of chemical engineering/brazilian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.313
H-Index - 52
eISSN - 1678-4383
pISSN - 0104-6632
DOI - 10.1590/s0104-66322000000400002
Subject(s) - automatic differentiation , initialization , computer science , numerical differentiation , code (set theory) , function (biology) , dynamic programming , differential (mechanical device) , source code , dynamic simulation , field (mathematics) , theoretical computer science , programming language , algorithm , simulation , mathematics , engineering , computation , mathematical analysis , set (abstract data type) , evolutionary biology , pure mathematics , biology , aerospace engineering
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