Topics in Detail (Revised 5/19/05 - not yet updated for 2006)
- WEEK 1. Modeling concepts, scales and approaches
- I will start with a course overview covering course format, approaches and deliverables. Then I will discuss conceptual modeling and how you then approach rendering a computer-based model.
Specific topics include: a. Environmental compartments and processes (Connell and Miller, 1984), b. Model Environments (McCall et al, 1983), and c. Types of Chemical Models (Zhu and Anderson, 2002).
Downloads: CEE373Lecture00.pdf and CEE373Lecture01.pdf
- WEEK 2. Programming Languages, Software Engineering and Numerical Methods
- What should we know about different programming languages and the platforms they work with? What are the stages of software engineering? Introduction to some simple numerical methods and creating software using these methods. At this point, you should be deciding on a term project (projects can be done individually or in teams). Specific topics include: a. Overview of computer programming languages and development environments, b. Organized software development, c. Software testing principles, and d. Numerical Methods and Recipes.
Downloads: CEE373Lecture02.pdf
- WEEK 3. Ion Activity, Ion Association and Solubility
- Examination of the chemical concepts of ion activity, ion association and solubility, and how to implement them in a computer program. We will examine code snippets for activity coefficient calculations, as well as a simple ion association model. It is intended to provide a first exposure to translating chemical concepts into computer code. Specific topics include: a. Activity coefficients, b. Equilibrium constant, and c. Solubility product and saturation index.
Downloads: CEE373Lecture03.pdf
Reading: Zhu and Anderson, Chapter 3. The latter part of this chapter (section 3.6 and after) will not be covered in class, but is useful knowledge (particularly the Phase Rule).
- WEEK 4. Kinetics and Rates of Reaction
- We will also examine some simple rate concepts and see how such concepts are implemented in computer code. Specific topics include: a. Rate laws and rate equations, b. Integrated forms and half-life, c. Nitrification in a batch reactor, and d. Nitrification in a column reactor.
Downloads: CEE373Lecture04.pdf
- WEEK 5. Modeling Complex Systems
- We will look at the models for complex chemical systems and how we need to work with them to achieve usable results. Validation, verification, interpretation and reporting will be discussed with examples run in HYDRAQL.
Downloads: CEE373Lecture05.pdf
- WEEK 6. Project Proposal Presentations
- The project team will give a 30 minute presentation outlining a proposal for your term project. The proposal needs to contain scientific background review plus software planning, including: a. Scientific literature review, b. Conceptual design, c. Marketing Requirements, d. Functional Requirements, e. Test plan, and f. Project schedule.
- WEEK 7. Symposium on Existing Environmental Chemical Models
- Students will make a 20 minute presentation going in-depth on a selected complex computer model. The presentation would include a conceptual and functional overview, as well as a demonstration on how to use the software.
- WEEK 8. Visualization, Interface Design and Usability
- In this meeting, we will look at some user-centric design concepts that are applicable to the types of computer models we have seen. Specific topics include: a. Computer graphics and data visualization, b. Passive vs dynamic user interfaces, c. Gauging and improving usability, d. Incorporation of help systems, and e. Collaborative model design.
Downloads: CEE373Lecture06.pdf
- WEEK 9. Internal Testing & Product Freeze
- As we near the end of the quarter and the due date for your term project, we will release your work to the rest of the class and have a testing session. Students will exercise some basic concepts in software testing, bug reporting and making the final push for general release.
Downloads: CEE373Lecture07.pdf and hipBugs.fp5.zip
Links: hipBUGS Web Access
- WEEK 10. Final Project Presentations (aka "Rollout")
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