Reacting Transport Phenomena and Modeling
Reagerande transportfenomen och modellering

MVK015F, 9 credits

Valid from: Spring 2013
Decided by: FN3/Per Tunestål
Date of establishment: 2013-02-11

General Information

Division: Energy Sciences
Course type: Third-cycle course
Teaching language: English

Aim

The course aims to provide deeper knowledge, a wider scope and improved understanding of the mechanisms of reaction coupled multi-physics transport processes, such as fluid flow, and heat/ mass/charge transfer appeared in multi-functional components relevant for green energy systems. The course will also give the students a better insight into modelling and simulation methods applied in analysis and synthesis of various transport phenomena at different length- and time-scales. The students should gain knowledge to apply the theories and modelling methods to relevant transport process in the energy systems including, e.g., fuel cells, flow batteries, reformers, etc.

Goals

Knowledge and Understanding

For a passing grade the doctoral student must

• • Apply know-how of thermodynamics, electrochemistry, heat transfer, and fluid mechanics principles to understanding of reaction coupled transport phenomena.
• • Have thorough understanding of performance behavior, operational issues and challenges for all major components involving multi-physics transport processes.
• • Identify, formulate, and apply relevant models for the transport phenomena at specific length- and time-scales relating to the functional materials and components.
• • Use the techniques, skills, modern simulation tools necessary for understanding and analysis of transport processes in innovative energy systems.

Competences and Skills

For a passing grade the doctoral student must

• • Understand, formulate and compare multi-physics transport processes and the effects of the chemical reactions relevant to fuel cell, flow battery or/and reformer systems.
• • Understand the impact of catalyst materials and structures in the functional components in a global and local context.
• • Apply and compare micro- and macroscopic models and numeric methods for understanding of coupling of transport processes and reactions in renewable energy systems and components.

Judgement and Approach

For a passing grade the doctoral student must

• • be able to actively participate in discussions concerning the problems and questions related to reacting transport phenomena and modelings.
• • be able to in oral and written ways present models and simulation methods for temperature, mass/charge concentration fields, pressure and current density distributions, etc.

Course Contents

Introduction: Operating Principles (fuel cells, flow batteries and reformers), History, Types, Components and Systems. Thermodynamics and Chemistry. Catalyst Materials and Functional Components: requirements, material issues, preparation and processing techniques, topological structures, functions. Transport Phenomena: Multi-phase fluid flow in open ducts and porous materials, heat transfer (conduction, convection and thermal radiation), multi-component reacting species transport in open ducts and porous materials, charge transfer in the functional regions (catalyst layer, electrolyte, supporting structures and inter-connectors), and water-state change. Catalytic Reactions: Electrochemical reactions (oxidation and reduction reactions) and reforming reactions of hydrocarbon fuels (steam reforming, water-gas shift reforming and dry reforming reactions). Management and Balance of Fluid, Heat and Water: Requirements, critical issues and challenges, effects on the overall performance, and effective management methods. Microscopic Modelling and Simulation Methods: Molecular dynamics (MD), density function theory (DFT), and particle-based methods (coarse-graining (CG) models, dissipative particle dynamics (DPD), smoothed particle dynamics (SPH)), etc. Meso-scale Modeling and Simulation Methods: Monte Carlo (MC) method and Lattice-Boltzmann method (LBM), etc. Macroscopic Modeling and Simulation Methods: Computational Fluid Dynamics (CFD) and lumped parameter analysis, etc.

Course Literature

The course literature consists of excerpts from the international literature, compendia material.

Instruction Details

Types of instruction: Lectures, seminars, project, self-study literature review. The course is given in form of seminars, literature reading, home assignments and a project. The examples and home assignments aim to give proficiency in applying the theories on transport processes and modeling. The project aims to provide a further improved understanding and better insight in analysis and modelling of multi-physics transport phenomena in selected topics.

Examination Details

Examination formats: Oral exam, written report, seminars given by participants. The exam will be a 30 minute individual oral examination on the topics of the course subjects. The final grade will be based on the points collected from the assignments, the project and the oral examination. The max points from each moment are: Assignment (paper discussion), 10p; Project progress Report, 10p; Project Final Report, 45p; Project Oral Presentation, 15p; Oral Examination, 20p.
Grading scale: Failed, pass
Examiner:

Admission Details

Assumed prior knowledge: Heat and Mass Transfer MVK160

Course Occasion Information

Contact and Other Information

Course coordinators: