ComputerModeling ofAqueousChemicalEnvironmentsCEE 373, 2 Units?OUTPUTINPUTCourse Approach• Loosely structured• Stress a high degree of cross-functionality• Think outside the box• Aim to improve the state of the subject• Opportunities to contribute• Knowledge Framework• Key Component of Skill Set• Demonstrable ExpertiseObjectives• Build appreciation for the workings ofexisting models• Provide experience in constructingprogram components• Teach skills necessary for accurate datainterpretationFormat• Experience a software development effortfrom beginning to end• Discussion of concepts and applications• Focus group on available productsA Software Development Effort• Sandbox: brainstorming, gathering of new ideas,creativity cycle.• Design: conceptual development, functionalrequirements, market requirements.• Implementation: multiple stages of engineering• Release: freezing, readiness, and hoping for thebestFocus Group• Examination of existing products• Feedback on pros and cons• Evaluation of new ideas borne of feedbackRoadmapSANDBOXModeling concepts,scales and approachesSANDBOXProgramminglanguages, softwareengineering &numerical methodsDESIGNIMPLEMENTATIONExamination ofEquilibrium-basedCodeIMPLEMENTATIONExamination ofReaction Rate-basedCodeIMPLEMENTATIONExamination ofExisting Models forComplex SystemsProject ProposalIMPLEMENTATIONVisualization, InterfaceDesign and UsabilityREADINESSInternal Testing andCode FreezeRELEASEFinal Presentations("Rollout")Term Project Elements• Innovative• Independent vs Team Project• Ground-up vs Add-on• Use State-of-the-Art Tools• Full Product Development Process• UsableTerm Project Elements• Proposal: Concept and Scope Development• Proposal: Positioning and Justification• Proposal: Functional Requirements• Proposal: Engineering Plan• Implementation: Prototype, Candidates, Freeze• Readiness: Testing and Bug Reporting• Release: Packaging (support documentation)Term Project Ideas• Predicting mineral precipitation• Importance of activity coefficient calculations• Design of a Help System• A Test Plan Design and Execution• Speciation model for ion pairs• Building a UI• Closed vs Open System Modeling• Enhancement with visualization tools• Proof of Concept: Software for the PDA platform• Platform-independent