Modelling Heterogeneous Reactions In Packed Beds and Its Application to The Upper Shaft of A Blast Furnace

Doctoral thesis (2014)

Heterogeneous reactions in packed beds such as iron ore reduction or gasification of coke in a blast furnace involve various aspects of thermodynamics, fluid dynamics, chemistry and physics. Unfortunately ... [more ▼]

Heterogeneous reactions in packed beds such as iron ore reduction or gasification of coke in a blast furnace involve various aspects of thermodynamics, fluid dynamics, chemistry and physics. Unfortunately, inaccessible and hostile process environments make it very difficult to gain insights into such reactors and to operate the industrial processes. To address this problem extensive research has been undertaken in the past to develop numerical methods and models. However, little effort has been made to describe the complex thermochemical processes inside such reactors starting from the particle and especially intra-particle scale. The objectives of this thesis are to introduce a coupled approach which allows for the physical and chemical interaction of a granular material with a surrounding gas phase and to apply it to the reduction processes in the upper shaft of a blast furnace. Furthermore, a suitable model to investigate the gas-solid thermochemical interaction within a single particle and within a packed bed of particles was to be established. Thus, the classical discrete element method (DEM) was extended by thermodynamic state variables such as temperature, composition and chemical reactions. In addition, a coupling between the particulate phase and a continuous gas phase for convective heat and mass transfer was implemented. It should be noted that the application of the presented methodology is not only restricted to the blast furnace, but rather represents a rigorous approach that can be applied to other packed bed reactors as well. A validation study on the particle scale using experimental results shows that the dis- crete particle model accurately predicts the progress of indirect reduction of a pellet. The particle model is shown to be capable of resolving radial gradients on the particle scale avoiding rigorous assumptions or mathematical fits to a specific experimental setup. These qualities of the model permit its usage in the presented analysis of indirect reduc- tion within the shaft of a blast furnace where each particle is subjected to time-varying boundary conditions. On the packed bed scale heat and mass transfer from the discrete to the continuous phase was validated using experimental data. Moreover, the model showed accurate results when compared to experimental reduction data from a lab scale bed of iron ore particles. Finally, the reduction processes in the upper shaft of a blast furnace were analysed: Firstly, isothermal reduction of a packed bed of pellets according to ISO standards were analysed in terms of heterogeneity in temperature and reduction degree inside the cylindrical reactor. Results indicate that radial gradients inside the packed bed are caused by the higher mass flow rate close to the reactor wall. Axial gradients develop due reduction reactions and the direction of the fluid flow. The formation of these axial gradients is found to be inherent to the process of indirect reduction of iron oxides due to the sequence of exothermic and endothermic reaction steps. Secondly, a complex packed bed with a layered structure of coke and iron ore particles is analysed under time-varying reducing gas conditions simulating the journey of a packed bed column through the upper shaft of a blast furnace. Results highlight that the gas and the solid phase are highly coupled in space and time during the process of indirect reduction. Axial gradients in temperature and composition form due to the heat and mass transfer between the packed bed and the streaming gas. Energy released or consumed by the indirect reduction provides an opposing trend to the gradients formed from the hot gas stream, thus reducing axial gradients within the bed and the gas phase. The results indicate the mechanisms involved during the formation of the thermal reserve zones inside the blast furnace shaft due to the complex interaction of convective heat and mass transfer in conjunction with energy consumption and release by the reactions. Considering the findings presented, this thesis is understood to contribute to the better understanding of heterogeneous reactions in packed beds and as a particular example of such the upper part of the blast furnace. [less ▲]

Application of XDEM as a novel approach to predict drying of a packed bed

in International Journal of Thermal Sciences (2014), 75

A majority of solid fuels especially biomass contains moisture, which may amount up to the mass of the dry particles. Thus it is important to determine the details of drying when considering biomass as a ... [more ▼]

A majority of solid fuels especially biomass contains moisture, which may amount up to the mass of the dry particles. Thus it is important to determine the details of drying when considering biomass as a fuel. Therefore, the objective of this work is to apply the Extended Discrete Element Method (XDEM) as a numerical simulation framework to prediction of drying within a packed bed reactor. The novel numerical concept resolves the particulate phase by the classical Discrete Element Method (DEM), however, extends it by the thermodynamic state e.g. temperature distribution and evaporation of water content of each particle in conjunction with heat and mass transfer to the surrounding gas phase. The latter is described by a continuous approach namely a set of differential conservation equations as employed in Computational Fluid Dynamics (CFD) for porous media. Comparison with measurement was carried out and good agreement was achieved. [less ▲]

3D Modellierung von Festbettreaktoren mit Hilfe der XDEM

Presentation (2013, July 05)

Extended Discrete Element Method (XDEM) to Model Heterogeneous Reactions in Packed Beds

in PARTEC - International Congress on Particle Technology (2013, April)

Packed beds, due to their high surface-area-to-volume-ratio, are widely used for chemical reactors, such as catalytic or pebble bed reactors, blast furnaces or as heat exchanging units. Depending on the ... [more ▼]

Packed beds, due to their high surface-area-to-volume-ratio, are widely used for chemical reactors, such as catalytic or pebble bed reactors, blast furnaces or as heat exchanging units. Depending on the mode of packing, structured or random, a different degree of heterogeneity is introduced. For stable and efficient process handling local quantities such as temperature or concentration of chemical species are of major interest. Direct measurement of such quantities has proven very difficult or unfeasable due to the morphology of the bed. Hence, numerical modeling can help to gain insights into inaccessible parts of such reactors. The objective of this contribution is to introduce a discrete numerical approach that describes heterogeneous reaction processes within packed and moving beds. The so-called Extended Discrete Element Method (XDEM) is used to account for convective heat and mass transfer within porous media. Both motion and chemical conversion of particulate material can be dealt with. A granular medium consists of an ensemble of particles of which each exhibits individual chemical and mechanical properties. Dynamics of solid particles is accounted for by the known discrete element approach. In addition physicochemical conversion of an individual particle like drying, gasification or redox reactions are accounted for by transient differential equations (species, energy, momentum) on a particle scale. Predictions include properties such as temperature and species distribution inside a particle. The general and modular formulation of the model allows for application to any chemical process involving heterogeneous reactions. Chemical interaction between multiple particles takes place through gaseous intermediates by heat and mass transfer. Computational Fluid Dynamics is applied for the gaseous continuum in the voidage between particles. The presented model can act as tool to gain valuable insights into chemical processes inside packed beds such as blast furnace iron making or gasification of biomass. It can serve as a toolbox for prediction, analysis and optimization of a variety of process parameters such as residence time, conversion progress, burden charging and gas flow patterns. As an example a section of the burden in a blast furnace is focused on. [less ▲]

Application of the Extended Discrete Element Method (XDEM) in Computer-Aided Process Engineering

Scientific Conference (2013)

Enhanced Thermal Process Engineering by the Extended Discrete Element Method (XDEM)

in Universal Journal of Engineering Science (2013), 1

A vast number of engineering applications <br />include a continuous and discrete phase simultaneously, <br />and therefore, cannot be solved accurately by continu- <br />ous or discrete approaches only ... [more ▼]

A vast number of engineering applications <br />include a continuous and discrete phase simultaneously, <br />and therefore, cannot be solved accurately by continu- <br />ous or discrete approaches only. Problems that involve <br />both a continuous and a discrete phase are important <br />in applications as diverse as pharmaceutical industry <br />e.g. drug production, agriculture food and process- <br />ing industry, mining, construction and agricultural <br />machinery, metals manufacturing, energy production <br />and systems biology. A novel technique referred to as <br />Extended Discrete Element Method (XDEM) is devel- <br />oped, that o ers a signi cant advancement for coupled <br />discrete and continuous numerical simulation concepts. <br />The Extended Discrete Element Method extends the <br />dynamics of granular materials or particles as described <br />through the classical discrete element method (DEM) to <br />additional properties such as the thermodynamic state <br />or stress/strain for each particle coupled to a continuum <br />phase such as <br />uid <br />ow or solid structures. Contrary <br />to a continuum mechanics concept, XDEM aims at <br />resolving the particulate phase through the various <br />processes attached to particles. While DEM predicts <br />the spacial-temporal position and orientation for each <br />particle, XDEM additionally estimates properties such <br />as the internal temperature and/or species distribution. <br />These predictive capabilities are further extended by an <br />interaction to <br />uid <br />ow by heat, mass and momentum <br />transfer and impact of particles on structures. [less ▲]

Modelling Thermochemical Processes in Granular Media

Presentation (2012, October 26)