Autumn Semester 2020 takes place in a mixed form of online and classroom teaching.
Please read the published information on the individual courses carefully.

Konrad Hungerbühler: Catalogue data in Autumn Semester 2016

Name Prof. Dr. Konrad Hungerbühler
Inst. f. Chemie- u. Bioing.wiss.
ETH Zürich, HCI G 133
Vladimir-Prelog-Weg 1-5/10
8093 Zürich
Telephone+41 44 632 60 98
Fax+41 44 632 11 89
DepartmentChemistry and Applied Biosciences
RelationshipProfessor Emeritus

529-0047-00LRisk Assessment of Chemicals7 credits6AC. Bogdal, K. Hungerbühler, N. von Götz, Z. Wang
AbstractProjects on chemical assessment with the focus on the analysis and assessment of basic substance data for selected chemical classes; analysis and modelling of technical processes; characterisation of environmental and health risks. Risk assessment on the basis of quality and protection goals. Estimation of model and parameter uncertainty. Precaution and safety measures.
ObjectiveProject thesis (report) on chemicals assessment; time frame totals ca. 80 hours.
ContentProjects on chemical assessment with the focus on the following aspects:

* Analysis and assessment of basic substance data for selected chemical classes: physical chemical properties, environmental behaviour (distribution, persistence), human and eco-toxicity (biochemical metabolism, effect mechanisms), safety.
* Analysis and modelling of technical processes determining chemical release into the environment, e.g., chemicals’ applications.
* Characterisation of environmental and health risks on the basis of exposure and effect models, QSARs from environmental chemistry, toxicology and methods of risk analysis.
* Risk assessment on the basis of quality and safety goals. Estimation of the model and data uncertainty.
* Demonstration of possibilities and limits of precaution and safety measures (technical, organisational, concerning personnel) including effectiveness and efficiency.

Project teaching; time frame totals ca. 80 hours.
Lecture notesSee recommended literature.
LiteratureHungerbühler, K., Ranke, J., Mettier, T., Chemische Produkte und Prozesse, Springer, 1998. (ISBN 3-540-64854-2);
Scheringer, M., Persistence and Spatial Range of Environmental Chemicals: New Ethical and Scientific Concepts for Risk Assessment, Wiley & Sons, 2002. (ISBN: 3-527-30527-0);
Schwarzenbach, R.P., Gschwend, P.M., Imbodem, D.M., Environmental Organic Chemistry, Second Edition, Wiley & Sons, 2003. (ISBN 0-471-35750-2);
van Leeuwen, C.J., Hermens, J.L.M., Risk Assessment of Chemicals: An Introduction, Kluwer Academic Publishers, 1995. (ISBN 0-7923-3740-9).
Prerequisites / NoticeVoraussetzung:
529-0580-00L - Risikoanalyse chemischer Prozesse und Produkte
oder: 701-0998-00L - Environmental and Human Health Risk Assessment of Chemicals

Beschränkt auf 6 Projektarbeiten pro Semester
529-0459-00LCase Studies in Process Design7 credits3AK. Hungerbühler, E. Capón García
AbstractThe learning objective is to design, simulate and optimise a real (bio-)chemical process from a process systems perspective. Specifically, a commercial process simulation software will be used for the process simulation and optimisation. Students have to integrate knowledge and develop engineering thinking and skills acquired in the other courses of the curriculum.
ObjectiveSimulate and optimise a chemical production process using a commercial process simulation software.
ContentThe learning objectives (LO) of this course are:

LO 1: Create a model describing the production process
- Students will apply a commercial process simulator systematically for process creation and analysis.
- Students will create a simulation flowsheet for steady-state simulation
- Students will discriminate the models for the different process units.
- Students will evaluate the sequencing in which process units associated with recycle loops are solved to obtain converged material and energy balances.

LO 2: Evaluate the performance of the production process
- Students will analyse and understand the degrees of freedom in modelling process units and flowsheets.
- Students will understand the role of process simulators in process creation.
- Students will make design specifications and follow the iterations implemented to satisfy them.
- Students will judge the role of process simulators in equipment sizing and costing and profitability analysis.
- Students will assess the economic performance of the process, including investment and operation costs.
- Students will assess the environmental impact of the production process.

LO 3: Optimise the design and operating conditions of the production process
- Students will solve sensitivity analyses and optimisations are conducted considering technical and economic criteria.
- Students will generate process integration alternatives to improve the initial production process.
- Students will optimise the production process considering economic and environmental criteria.
Prerequisites / NoticeBefore the case study week, students do exercises in the course of Process Simulation and Flowsheeting in order to get familiar with Aspen Plus simulation software (compulsory). They also receive guidelines for environmental impact assessment and skills on oral presentations.

The problem statement and detailed instructions are provided at the beginning of the case study week.

During the case study week:
- Students work in teams of 3-5 people.
- Students have to pose and solve the different questions presented in the problem statement.
- Students have to coordinate the activities, the preparation of the written report and the oral presentation.
- Students will be assessed in specific questions they may find along the case study development.
- An industry expert, namely a chemical engineer from ETHZ, exchanges with the groups.

One week after the case study week, the groups deliver the written report.

One week later, the students receive the comments on the work done, and implement required corrections.

All the groups prepare a single presentation comparing the results and showing their achievements.

Finally, the students visit the real industrial process at the site. They also present their work to the industrial experts on the day of the industry visit.
529-0549-01LCase Studies in Process Design I3 credits3AK. Hungerbühler, E. Capón García, U. Fischer
AbstractThe focus of part I of the case study course lies on the literature-based comparison of chemical process alternatives. Based on this compilation and selected quantitative as well as qualitative measures a process assessment and comparison is conducted and the most promising process alternative is chosen for further evaluation, and a basic flowsheet and mass and energy balances are generated.
Objective- to obtain knowledge about different databases and sources of information
- application of the knowledge obtained in lectures
- problem-oriented problem solving (application of different methods to the same subject)
- team work
- report writing and presentation techniques
ContentThe focus of part I of the case study course lies on the literature-based comparison of chemical process alternatives. For this purpose relevant substance data (i.e. physico-chemical, toxicological, safety, and environmental data) as well as information about synthesis routes and technical implementations (i.e. on reaction kinetics; possible separation operations; economic, safety, and environmental aspects) are collected from the literature. Based on this compilation and selected quantitative as well as qualitative measures a process assessment and comparison is conducted and the most promising process alternative is chosen for further evaluation. For this alternative a basic flowsheet and mass and energy balances are generated.
529-0613-00LProcess Simulation and Flowsheeting7 credits3GE. Capón García, K. Hungerbühler
AbstractThis course encompasses the theoretical principles of chemical process simulation, as well as its practical application in process analysis and optimization. The techniques for simulating stationary and dynamic processes are presented, and illustrated with case studies. Commercial software packages are presented as a key engineering tool for solving process flowsheeting and simulation problems.
ObjectiveThis course aims to develop the competency of chemical engineers in process flowsheeting and simulation. Specifically, students will develop the following skills:
- Deep understanding of chemical engineering fundamentals: the acquisition of new concepts and the application of previous knowledge in the area of chemical process systems and their mechanisms are crucial to intelligently simulate and evaluate processes.
- Modeling of general chemical processes and systems: students have to be able to identify the boundaries of the system to be studied and develop the set of relevant mathematical relations, which describe the process behavior.
- Mathematical reasoning and computational skills: the familiarization with mathematical algorithms and computational tools is essential to be capable of achieving rapid and reliable solutions to simulation and optimization problems. Hence, students will learn the mathematical principles necessary for process simulation and optimization, as well as the structure and application of process simulation software. Thus, they will be able develop criteria to correctly use commercial software packages and critically evaluate their results.
ContentOverview of process simulation and flowsheeting
- Definition and fundamentals
- Classification: stationary (steady-state) versus dynamic (transient state) systems
- Fields of application
- Case studies

Process modeling
- Modeling strategies of process systems
- Mass conservation
- Species balance
- Energy conservation
- Momentum balance
- Multiphase-systems: equilibrium & non-equilibrium models
- Process system model

Process simulation
- Process specification
- Introduction to process specification
- Classification of mathematical models: AMS, DOE, DAE, PDE
- Model validation
- Software tools
- Solution methods for process flowsheeting
- Simultaneous methods
- Sequential methods
- Dynamic simulation
- Numerical solution: explicit and implicit methods
- Continuous-discrete simulation: handling of discontinuities

Process optimization and analysis
- Classification of optimization problems
- Linear programming
- Non-linear programming
- Dynamic programming
- Optimization methods in process flowsheeting
- Sequential methods
- Simultaneous methods

Commercial software for simulation: Aspen Plus
- Thermodynamic property methods
- Reaction and reactors
- Separation / columns
- Convergence & debugging
LiteratureAn exemplary literature list is provided below:
- Biegler, L.T., Grossmann I.E., Westerberg A.W., 1997, systematic methods of chemical process design. Prentice Hall, Upper Saddle River, US.
- Boyadjiev, C., 2010, Theoretical chemical engineering: modeling and simulation. Springer Verlag, Berlin, Germany.
- Ingham, J., Dunn, I.J., Heinzle, E., Prenosil, J.E., Snape, J.B., 2007, Chemical engineering dynamics: an introduction to modelling and computer simulation. John Wiley & Sons, United States.
- Reklaitis, G.V., 1983, Introduction to material and energy balances. John Wiley & Sons, United States.
Prerequisites / NoticeA basic understanding of material and energy balances, thermodynamic property methods and typical unit operations (e.g., reactors, flash separations, distillation/absorption columns etc.) is required.
529-0637-00LChemical Engineering Laboratory II Restricted registration - show details 8 credits8PM. Morbidelli, K. Hungerbühler, N. Kobert, F. C. I. Meemken
AbstractIntroduction to the main specific areas in chemical and biochemical engineering. The students sharpen their laboratory skills and learn to plan and perform problem-oriented experiments and to analyse, interpret and present the results.
ObjectiveIntroduction to the main specific areas in chemical and biochemical engineering. the students sharpen their laborarory skills and learn combined techniques to plan and perform problem-oriented experiments and to analyse, interpret and present the results.
ContentTeams of two students will conduct four or five experiments from the following areas: reactor stability, characterization of multiphase reactors, heterogeneous gas phase catalysis, polymer reaction engineering, process control and automation, safety and ecological analysis.
529-0699-00LSafety and Environmental Technology of Chemical Processes and Products0 credits2SK. Hungerbühler, C. Bogdal, E. Capón García, F. C. I. Meemken, M. Scheringer, N. von Götz, Z. Wang
AbstractThis course comprises a series of seminars on current topics regarding environmental impact and safety of chemical products and processes. Invited national and international speakers from public and industrial research institutions present their latest developments and applications, and show future trends.
ObjectiveGiving the students the opportunity to experience recent research progress at first hand; encouraging participation in discussions with speaker and audience.
529-0745-00LGeneral and Environmental Toxicology7 credits3VM. Arand, K. Hungerbühler, H. Nägeli, B. B. Stieger, I. Werner
AbstractToxicokinetic and toxicodynamic aspects of xenobiotic interactions with cellular structures and mechanisms. Toxic responses at the level of organs (immune-, neuro-, reproductive and genotoxicity) and organisms. Introduction into developmental toxicology and ecotoxicology.
ObjectiveUnderstanding of the impact of chemicals on biological systems; evaluation of the effects from different biomedical perspectives.
ContentExplanation of important interactions between xeniobiotic chemicals and cellular structures such as membranes, enzymes, and nucleic acids. Relevance of intake, distribution, excretion, and biochemical transformation processes. Relevance of mixtures. Explanation of important modes of toxic action such as immuno toxicity, neurotoxicity, reproduction toxicity, genotoxicity based on examples of certain xenobiotics and their effects on important organs.
Lecture notesCourse material will be handed out as the lectures progress
LiteratureTextbooks of pharmacology and toxicology (cf. list in course material)
Prerequisites / NoticeEducational basis: basic chemistry, biology and biochemistry