Computer-aided modeling for efficient and innovative product-process engineering

Model baserede computer understøttet produkt process engineering har opnået øget betydning i forskelligste industrielle brancher som for eksampel farmaceutisk produktion, petrokemi, finkemikalier, polymerer, bioteknologi, fødevarer, energi og vand. Denne trend er forventet at fortsætte på grund af substantielle fordele, hvilke computer understøttede metoder medfører. Den primære forudsætning af computer understøttet produkt process engineering erselvfølgelig den tilgængelighed af modeller af forskellige typer, former og anvendelser. Udviklingen af den påkrævet modellen for de undersøgte systemer er normalt en tidskrævende udfordring og derfor mest også dyrt. Den involverer forskelligste trin, fagekspert viden og dygtighed og forskellige modellerings værktøjer. Formålet af dette projekt er at systematisere den model udviklings proces og anvendelse og dermed øge effektiviteten af modeller såvel somkvaliteten. Den væsentlige bidrag af denne PhD afhandling er en generisk metodologi for proces model udviklingen og anvendelse i kombination med grundige algoritmiske arbejdes diagrammer for de forskellige involverede modeller opgaver og udviklingen af computer understøttede modeller rammer hvilke er strukturbaseret på den generiske metodologi, delvis automatiseret i de forskellige arbejdstrin og kombinerer alle påkrævet værktøjer, understøttelseog vejledning for de forskellige arbejdstrin. Understøttede modelleringsopgaver er etableringen af modeller mål, indsamling af de nødvendige informationer, model formulering inklusive numeriske analyser, etablering af løsningsstrategier og forbinding med den passende løsningsmodul, model identificering og sondering såvel som model anvendelse for simulation og optimering. Den computer understøttede modeller ramme blev implementeret i en brugervenlig software. En række forskellige demonstrationseksempler fra forskellige områder i kemisk ogbiokemiske engineering blev løst for udvikling og validering af den generiske modellerings metodologi og den computer understøttet modeller ramme anvendt på den udviklet software værktøj.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 andapplication 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 userthrough 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 userfriendlysoftware.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

Timing of Transients : Quantifying Reaching Times and Transient Behavior in Complex Systems

The authors thank the anonymous referees for their detailed and constructive feedback. This paper was developed within the scope of the IRTG 1740/TRP 2011/50151-0, funded by the DFG/FAPESP. This work was conducted in the framework of PIK’s flagship project on coevolutionary pathways (copan). The authors thank CoNDyNet (FKZ 03SF0472A) for their cooperation. The authors gratefully acknowledge the European Regional Development Fund (ERDF), the German Federal Ministry of Education and Research and the Land Brandenburg for supporting this project by providing resources on the high performance computer system at the Potsdam Institute for Climate Impact Research. The authors thank the developers of the used software: Python[47], Numerical Python[48] and Scientific Python[49]. The authors thank Sabine Auer, Karsten Bolts, Catrin Ciemer, Jonathan Donges, Reik Donner, Jasper Franke, Frank Hellmann, Jakob Kolb, Chiranjit Mitra, Finn Muller-Hansen, Jan Nitzbon, Anton Plietzsch Stefan Ruschel, Tiago Pereira da Silva, Francisco A. Rodrigues, Paul Schultz, and Lyubov Tupikina for helpful discussions and comments.Peer reviewedPublisher PD