Module: Modeling of Granular Materials
|Multiscale simulation of granular materials||Lecture||2||Winter Semester|
|Multiscale simulation of granular materials||Recitation Section (small)||2||Winter Semester|
|Thermodynamic and kinetic modeling of the solid state||Lecture||2||Winter Semester|
Prof. Maksym Dosta
Recommended Previous Knowledge:
Fundamentals in Mathematocs, Physics and Mechanics
After successful completion of the module the students are able to:
- describe modern modeling approaches which can be applied for simulation of granular materials
- analyze and evaluate possibility to apply numerical simulations on different time and length scales: from description of single particle properties on micro scale up to process simulation on macro scale
- list modern simulation system and discuss possibility of their application
- explain fundamentals of main numerical methods which are used for modeling of particulate materials
- list experimental methods to characterize granular materials
- explain fundamental thermodynamic and kinetic relations for the processes with solids
- explain theoretical background and limitations of the discrete models for the processes with solids
After successful completion of the module the students are able to,
- perform flowsheet simulation of solids processes and analyze steady-state or dynamic process behavior
- simulate behavior of granular materials on the micro scale with Discrete Element Method (DEM)
- optimize processes of mechanical process engineering (mixing, separation, crushing, …) with DEM
- apply multiscale simulations for modeling of particulate materials
- evaluate results of numerical simulations
- select and apply appropriate thermodynamic and kinetic models for processes with solids
- select and apply appropriate discrete models for the processes with solids.
After completion of this module, participants will be able to debate technical questions in small teams to enhance the ability to take position to their own opinions and increase their capacity for teamwork.
After completion of this module, participants will be able to solve a technical problem independently including a presentation of the results. They are able to work out the knowledge that is necessary to solve the problem by themselves on the basis of the existing knowledge from the lecture.
ECTS-Credit Points Module:
Workload in Hours:
Independent Study Time: 96, Study Time in Lecture: 84
Course: Multiscale simulation of granular materials (Lecture)
- Steady-state flowsheet simulation of solids processes
- Dynamic flowsheet simulation of solids processes
- Introduction to Discrete Element Method (DEM)
- Contact and breakage mechanics of granular materials
- Extension of DEM
- Modeling of Gas/Solid streams with coupled DEM and CFD methods
- Population balance modelling of solids processes
- Multiscale simulation of particulate materials
B.V. Babu (2004). Process plant simulation, Oxford Univ. Press, New York.
S.J. Antony, W. Hoyle, Y. Ding (Eds.) (2004). Granular materials: Fundamentals and Applications, RSC, Cambridge.
T. Pöschel (2010). Computational Granular Dynamics: Models and Algorithms, Springer Verl. Berlin.
Other lecture materials to be distributed
Course: Multiscale simulation of granular materials (Recitation Section (small))
- Introduction into simulation frameworks: Aspen Plus (Solids), Dyssol, MUSEN
- Steady-state flowsheet simulation of solids processes (Aspen Plus)
- Dynamic flowsheet simulation of solids processes (Dyssol)
- Implementation of new contact laws and calculation of particle interactions (Matlab)
- Simulation of granular materials with population balance models (Matlab)
- Simulation of granular materials with discrete element method (MUSEN)
- Optimization of several processes with discrete element method (MUSEN)
M. Dosta: Lecture notes.
S. Attaway (2013). Matlab: A Practical Introduction to Programming and Problem Solving, Third Ed.
Other lecture materials to be distributed
Course: Thermodynamic and kinetic modeling of the solid state (Lecture)
- Thermodynamics of pure solids: melting/crystallization; glassy and amorphous state.
- Thermodynamics of solid-gas equilibria: adsorption and sublimation.
- Thermodynamics of solid-liquid equilibria: solubility in aqueous and non-aqueous systems; solid solutions; supercritical fluids as solvents.
- Kinetics of dissolution/precipitation processes: chemical vapor deposition; drug release; hydrothermal processes.
- Characterization of solids: contact angle, adsorption techniques, IR spectroscopy, electron microscopy.
- Discrete models of dissolution/precipitation processes: diffusion limited aggregation; random-like and ballistic-like deposition models
- Advanced discrete models: surface wettability; adsorption and precipitation of (bio)polymers.
Prausnitz, J.M., Lichtenthaler, R.N., and Azevedo, E.G. de (1998). Molecular Thermodynamics of Fluid-Phase Equilibria, Pearson Education.
Elliott, S., and Elliott, S.R. (1998). The Physics and Chemistry of Solids, Wiley.
Chopard, B., and Droz, M. (2005). Cellular Automata Modeling of Physical Systems, Cambridge University Press.