Engineers face growing pressure to incorporate sustainability objectives into their practice. In comparing two products/designs it is often not apparent which one is more sustainable. The course introduces concepts and method for determining the net environmental, economic, and social impacts of an engineering technology or process. Specific topics include life cycle assessment, cost/benefits analysis, energy auditing, materials accounting, and environmental assessment. These methods are examined and applied to current engineering issues such as global climate change, alternative-fueled vehicles, water and wastewater treatment, urban development, renewable energy (solar, wind, and biomass), and waste mitigation. Each student will be required to apply tools learned to assess the sustainability of a specific engineering system. This is a research based course and is suitable for students interested in researching in depth a particular topic. By the end of the course, students will have an awareness of analytical tools/resources for evaluating sustainability employing a systems perspective.
Upon completion of this course, students will be able to:
Understanding the combustion chemistry of hydrocarbon fuels can aid in developing thermal conversion processes and in improving combustion applications. Optimization of engine performance requires an understanding of how a fuel’s molecular structure affects important combustion properties. This course presents the current state-of-the-art in comprehensive chemical kinetic modeling of long chain hydrocarbon fuels typically used in diesel, gasoline, and jet engine applications. The course will cover the development of large databases of chemical reaction pathways with associated kinetic rate parameters, as well as thermochemical and transport properties for all reactant, intermediate, and product species. First, the mapping out of detailed reaction pathways at the temperatures and pressures relevant to chemical reactors and combustion applications will be discussed. Next, the art of assigning rate constants using chemical intuition and quantum chemical modeling will be covered. The determination of thermochemical and transport properties is achieved using both molecular modeling tools and empirical methods. The comprehensive models are then validated against data from well-defined experimental configurations, such as zero-dimensional and one-dimensional reacting flows whose physics can be modeled exactly. These validated models are finally employed to determine the thermal degradation and oxidation pathways relevant to the prediction of combustion performance in practical engine applications. Real examples of detailed chemical kinetic models for transportation fuels will be presented with the aim of displaying how such predictive tools can aid in designing engines.
- Develop an understanding of how chemical kinetic models for transportation fuels are developed
- Identify experimental setups that can be used for validation chemical kinetic models with a focus on range of applicability and uncertainty
· Apply chemical kinetic modeling to understand important engine combustion processes
Lecture 2 – Chemical kinetic models for high temperature combustion processes (2 hours)
Describe high temperature reaction classes for alkane fuels and any modifications required for other fuels (e.g., oxygenates). Cover the basic theory behind various types of reactions (e.g., fuel and radical decomposition, isomerization, abstraction, etc.) and rate constant estimates for each.
Lecture 4 – Generation of species thermodynamic and transport data (2 hours)
Cover the generation of thermo data using group additivity schemes. Show how THERM is used for this and the various important files (group values, BDEs, etc.). Demonstrate how to resolve the more complicated features such as optical isomers, symmetry, gauche interactions, etc. Describe how transport data is generated.
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