Automatic differentiation for portable process systems models

Abstract

The development of complicated mathematical models in process systems engineering requires a lot of human effort. The high development cost of complex models can be reduced by reusing submodels created by other modelers. The exchange of ready-to-use components requires a common standardized data format. CapeML is an XML-based meta language defined for describing equation-based models in process system engineering. This domain specific language provides a convenient level of abstraction to which auxiliary code transformations can be applied. Automatic differentiation is a semantic transformation of programs that describe mathematical functions. It applies the chain rule of differential calculus and generates a new program that additionally calculates the derivatives of the underlying function. ADiCape is an XSLT-based tool for automatic augmentation of CapeML models with the derivative information. A platform-independent CapeML representation of a model together with additional code to calculate derivatives is available in a bundle and can be reused by the engineers.