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OPTIMIZATION AND COMPUTATION OF THERMODYNAMIC PROPERTIES AND PHASE DIAGRAMS
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OPTIMIZATION AND COMPUTATION OF THERMODYNAMIC PROPERTIES AND PHASE DIAGRAMS
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Academic year 2017/2018
- Teacher
- Prof. Marcello Baricco (Titolare del corso)
- Teaching period
- Annuale
- Type
- Facoltativo
- Credits/Recognition
- 3 CFU
- Course disciplinary sector (SSD)
- ING-IND/22 - scienza e tecnologia dei materiali
- Delivery
- Tradizionale
- Language
- Inglese
- Attendance
- Obbligatoria
- Type of examination
- Prova pratica
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Sommario del corso
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Course objectives
The course is aimed to present the CALPHAD method for the optimization and calculation of thermodynamic properties and phase diagrams. Examples will be given for various systems, including aqueous solutions, semiconductors, oxides, metals and alloys, etc.
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Course delivery
The course is organized in theoretical lessons and practical computer applications. The course is planned in 1.5 days, for a total amount of 3 CFU
Each student should have his own laptop for computer applications.
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Program
Theory (0.5 day)
Lecture 1: Role of thermodynamics on the optimisation of materials and processes. Basic thermodynamics. Phase diagrams. Free energy-composition curves and phase diagram construction.
Lecture 2. Ab initio modelling of thermodynamic properties: an overview.
Lecture 3. The CALPHAD method. Parametric description of thermodynamic functions. Composition and temperature dependence. Thermodynamic databases. Computing techniques. Softwares available.
Computer applications (1.0 day)
Calculations of phase diagrams and chemical processes. Application to industrial problems.
Suggested readings and bibliography
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More info:
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Class schedule
Giorni Ore Aula Giovedì 9:00 - 13:00 Aula D1 Dipartimento di Chimica Giovedì 14:00 - 18:00 Aula D1 Dipartimento di Chimica Venerdì 9:00 - 13:00 Aula D1 Dipartimento di Chimica Lezioni: dal 07/06/2018 al 08/06/2018
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Note
The course will be held in June 2018. Exact timetable and location will be announced in due time.
Students must register at the course web page. The maximum number of students is limited to 20.
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