CHEM-E6115 - Thermodynamics of Modeling and Simulation D, Lecture, 28.2.2023-19.4.2023
This course space end date is set to 19.04.2023 Search Courses: CHEM-E6115
Topic outline
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Elective course in Sustainable Metals Processing major. Teaching Period IV-V (Spring 2023)
Workload
Lectures 10 h
Tutorials 8 h
Project work 57 h
Independent (group) studies 60 hAIMS OF THE COURSE
Learning outcomes
After the course the student can
◦ describe industrial problem as a system, in terms of its thermodynamic variables.
◦ use thermochemical properties of systems and their analytical expressions in the simulation of properties and processes.
◦ analyse and model experimental data in the chemical equilibrium calculations.
◦ E6115 deepens the contents of courses E6100 and E6105 in thermodynamic analysis of experimental data.
Teaching methods
◦ lectures
◦ tutorials and guided assessments
◦ project work in groups of two in a selected individual topic
◦ independent study and exam
Course material
◦ Handouts from lectures and selected scientific papers.
Phase Diagrams and Thermodynamic Modeling of Solutions | ScienceDirect (Arthur Pelton)
The book is accessible on Aalto network (through Aalto VPN from other networks)
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Themes of Week 1
- Introduction to course
- Calphad modeling - an introduction
Learning outcomes:- Familiarize yourself with Calphad method- Understand the common tangent method- Recognize phase diagrams of different order -
Experimental methods for phase equilibria and thermodynamic properties
- Equilibration/quenching techniques
- Thermal analysis
- Calorimetry
- EMF
- Gas phase methods
Intended learning outcomes
- Recognize the main experimental methods used to measure phase equilibria and thermodynamic properties in high-T systems
- Understand the working principles, advantages & disadvantages of the experimental methods
- Compare different experimental techniques to be able to select suitable methods for phase equilibria and thermodynamic determinations
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Non-ideal solutions & Thermodynamic solution models
- Ideal solution and regular solution
- Metals and alloys
- Compound Energy Formalism
- Ionic solutions
- Sublattice models
- Slags/liquid oxides
- Associate model
- Quasichemical model
- Quadruplet model
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Overview of thermodynamic software
- Factsage
- Thermo-Calc
- MTData
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Groups & Topics
Jonna Piironen& Jussi Anttila: CuCl-NaCl
Xiang Li & Fabiola Lasar: NiO-MnO
Unselected topics:
1. Li2SO4-CoSO4
2. Li2SO4-MnSO4
3. Li2SO4-NiSO4
4. Li2SO4-Li2CO3
5. Li2SO4-Li3PO4
Other systems:
6.MnO-NiO7. Ag-Au8. Au-Pt9.CuCl-NaCl -
Answer both questions, and utilize handouts, course material, as well as the references given below (should be accessible with Aalto VPN), or other sources you find from scientific literature. It is not mandatory to refer to all sources in you answer, but if additional sources are used, please indicate the source. The essay must be uploaded at the latest on Friday April 21, at 23:59. If further information is needed, contact me at daniel.k.lindberg@aalto.fi