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Modular Model Specification on the Documentation Level - Concepts and Application in a Web-Based Modeling Environment

In process systems engineering, the formulation of models as equation systems is a common technique. Such models are used in research but are also present as integral parts of simulation tools. Several challenges can be seen in the corresponding modeling process. First, the computer models depend on their language of implementation, which renders them useless when technology advances and which hinders their application in environments that use other languages. Second, the documentation of computer models is still not satisfactory. Third, Internet technology should be used in a more effective way for the exchange and reuse of the computer models. The definition of computer models in a meta language in combination with code generation for their implementation is a common concept in model-driven software engineering. In order to maximize usability, a meta language for equation-system-based computer models must be declarative, focus on the essential information, and also be intuitive. This can be achieved by defining the models on the level of documentation with the help of mathematical symbolic language as it is used in the literature. Modularity makes models and model elements reusable and thereby constitutes the basis for exchange and cooperation. The reusability of model elements is related to their independence from each other, from which follows that both the degree of modularity and the way model elements are combined play an important role. The applicability of the models in the form of program code is a direct measure of the benefit of a modeldriven modeling approach. Therefore, a code generation feature should comprise many languages and be easily extensible. In this work, the above subjects are addressed. A modeling concept is presented that works on the level of documentation, uses a complex mathematical symbolic notation, and is independent from storage formats. The class of considered mathematical notations includes modular variable names and is therefore more comparable to presentations in the literature than notations currently used in computer algebra systems. The aspect of modularity of the proposed modeling concept is focused on a high level of reusability and a fine-grained subdivision of the entire simulation problem. The described concepts are applied in a web-based modeling environment that permits the creation and the calculation of models and can be used as an exchange and cooperation platform. The modeling environment includes a versatile code generation functionality with a growing number of implemented language outputs, and a graphical interface for user-defined specification of the generated code. Application examples of the modeling environment are provided, which also demonstrate the applicability of the modeling concept for scanned articles. The modeling environment includes a documentation generator, which is used to describe the examples presented. This research was conducted for the UniCat cluster of excellence, which is an interdisciplinary project concerned with the oxidative coupling of methane. The activities in