Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy and water. This trend is set to continue due to the substantial benefits computer-aided methods provide. The key prerequisite of computer-aided productprocess engineering is however the availability of models of different types, forms and application modes. The development of the models required for the systems under investigation tends to be a challenging, time-consuming and therefore cost-intensive task involving numerous steps, expert skills and different modelling tools. The objective of this project is to systematize the process of model development and application thereby increasing the efficiency of the modeller as well as model quality. The main contributions of this thesis are a generic methodology for the process of model development and application, combining in-depth algorithmic work-flows for the different modelling tasks involved and the development of a computer-aided modelling framework. This framework is structured, is based on the generic modelling methodology, partially automates the involved work-flows by integrating the required tools and, supports and guides the user through the different work-flow steps. Supported modelling tasks are the establishment of the modelling objective, the collection of the required system information, model construction including numerical analysis, derivation of solution strategy and connection to appropriate solvers, model identification/ discrimination as well as model application for simulation and optimization. The computer-aided modelling framework has been implemented into an userfriendly software. A variety of case studies from different areas in chemical and biochemical engineering have been solved to illustrate the application of the generic modelling methodology, the computeraided modelling framework and the developed software tool.
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Glarborg, Peter, Sin, Gürkan, Gani, Rafiqul
Technical University of Denmark, Department of Chemical Engineering, 2011