Coal is playing a major role as a reductant and as an energy source in the present world steel production due to its low cost and widespread distribution around the world. At the same time, being the largest contributor to global CO2 emissions, coal faces significant environmental challenges in terms of air pollution and global warming. Hydrogen is a promising alternative for coal in lowering the steel industry's CO2 footprint, but the availability of green hydrogen is currently limited by its high production cost. This research study focuses on developing a pressure swing adsorption (PSA) technology that will allow for continued use of coal for a smooth transition towards green hydrogen-based steel production, by better utilisation of its by-product coke oven gas to produce high purity hydrogen. A generic, fast and robust simulation tool for simulating a variety of PSA processes considering both equilibrium and kinetic effects using a detailed non-isothermal and non-isobaric model is developed in the study. The adsorption equilibrium data required for the model are calculated from experimental results using the non-linear regression data fitting method. A series of rigorous parametric studies and breakthrough tests are performed using the developed mathematical model for better understanding of the effects of different factors on the PSA process performance. With the better understanding obtained from the above-mentioned parametric studies, the model is optimised by performing several simulation tests to achieve a high process performance in terms of purity and recovery of the H2 product, productivity of the adsorbents and energy consumption for compression of gases. The optimised 14-step multi-bed PSA cycle developed in this study allows for an improved energy efficiency of coal usage by better utilisation of its by-product coke oven gas by converting it into valuable high purity (>99.999%) hydrogen product with a recovery of over 75%.

Bed permeability is a crucial factor in blast furnace efficiency and stability. The Discrete Element Method (DEM) has been used extensively to model material flow in different parts of the furnace and holds great potential for optimizing the permeability. The inherent computational load is the main bottleneck in using this method to provide detailed descriptions of different blast furnace granular phenomena on an industrial scale. In recent years, computing capabilities have been rapidly increasing and more elaborate models are being developed for the furnace as a whole. This paper reviews the recent progress in modelling relevant phenomena related to the burden distribution, and how they affect the bed permeability, using DEM. We conclude that significant efforts have been made in modelling the burden distribution; however, these models generally do not investigate the permeability. Hence, understanding of how the permeability can be optimized still requires significant efforts towards model development.

The blast furnace hearth plays an important role in the operational stability and lifetime of the reactor. The quasi-stagnant bed of coke particles termed the deadman undergoes complex interaction with the flowing hot metal, and remains largely ill-understood. In this work, a cold model blast furnace hearth is presented, and studied using both numerical and experimental techniques. Magnetic Particle Tracking (MPT) is used to investigate the individual particle behaviour within the cylindrical, opaque bed. At high liquid holdup, the particle bed was found to alternate between floating and sitting states, following the liquid level during the tapping and filling cycle. This bed motion was found to induce a migration of particles, thereby slowly renewing the deadman. The rate of horizontal migration increases with the vertical bed amplitude, and the renewal of particles is concentrated around the opening of the tap hole. No direct influence of the coke-free space on the tapping rate was found in these experiments. Instead, the disturbance of the packing in front of the tap hole was observed to lead to a higher tapping rate. Additionally, a coupled numerical framework is presented, in which Computational Fluid Dynamics (CFD), the Volume of Fluid (VOF) method and the Discrete Element Method (DEM) are combined. A simulation set-up is presented which closely replicates the experimental conditions. The position and movement of the floating bed are found to be well-predicted by the VOF/CFD-DEM model. Particle trajectories are presented, and migration of particles within the deadman is observed. Alongside the particle motion, the liquid flow pattern during draining of the vessel is visualised. It is concluded that a coke-free space underneath the deadman significantly impacts the shape of the liquid flow pattern, which affects the erosion processes within the blast furnace hearth.

Magnetic particle tracking (MPT) was employed to study a rotating drum filled with cork particles, using both air and water as interstitial medium. This noninvasive monitoring technique allows for the tracking of both particle translation and rotation in dry granular and liquid–solid systems. Measurements on the dry and floating bed rotating drum were compared and detailed analysis of the bed shape and velocity profiles was performed. It was found that the change of particle–wall and particle–particle interaction caused by the presence of water significantly affects the bed behavior. The decreased friction leads to slipping of the particles with respect to the wall, rendering the circulation rate largely insensitive to increased drum speed. It was also found that the liquid–particle interaction is determining for the behavior of the flowing layer. The well-defined experiments and in-depth characterization performed in this study provide an excellent validation case for multiphase flow models.

In this work, large-scale simulations of the blast furnace hearth are presented, conducted using a model combining Computational Fluid Dynamics, the Volume of Fluid method, and the Discrete Element Method. Using a 5 m diameter, full-3D geometry, the influence of burden weight, bi-disperse packing, and blocked tuyeres on the liquid and solids flow within the hearth are investigated. Horizontal and vertical porosity profiles are presented, and the influence of the dynamic liquid level on the state of the deadman is evaluated. The liquid iron flow during tapping is visualised, and the influence of a coke-free space on the flow pattern is analysed. The magnitude of the circumferential flow through the corner of the hearth is analysed, and found to decrease with increasing burden weight pressure and coke diameter in the bed centre. A significant influence of the dynamic deadman on the liquid flow pattern is found, especially in case of a floating deadman. In addition to the liquid flow, the solid coke flow towards the raceways is analysed. Two pathways for coke particles towards the raceway are uncovered, one path through the actively flowing layer above the deadman, and a second path moving through the deadman and entering the raceways from below. The balance between these two mechanisms was found to change during the tapping cycle. Lastly, implementations for heat and dissolved carbon mass transfer are presented, and demonstrated using a full-scale 10 m hearth simulation. Additional closures for heat and mass transfer rates are required, but the current model is found in good shape for future work.

Suspension reduction kinetics of hematite ore particles at 1710 K to 1785 K was described by the Johnson-Mehl-Avrami-Kolmogorov model with Avrami exponent of 1.405. The apparent activation energy is 105.5 kJ mol⁻¹ with the rate determining step of nucleation and growth. The reduction degree of the hematite at the endpoint is a linear function of temperature and the logarithmic oxygen potential of the reacting gas. A peak function of reaction rate constant with particle size has been verified in this work, and the maximum value of the reaction rate is located at around 85 µm particle size. The influence of heat transfer on the reaction process has been evaluated. The results suggest that the heating-up process for large particles, 244 µm particles, for instance, cannot be ignored. It can retard the reaction rate compared to small particles. Normally, the reaction rate constant decreases linearly with the increase of ln[p(O₂)] of the reacting gas mixture. However, 95 vol pct CO₂ in the reacting gas can accelerate the reaction rate of thermal decomposition of hematite due to the emissivity of CO₂ gas. It results in a higher reaction rate of 110 µm particles in 95 vol pct CO₂-containing gas than that in other less CO₂-containing gases.

In order to understand the pre-reduction behaviour of fine hematite particles in the HIsarna process, change of morphology, phase and crystallography during the reduction were investigated in the high temperature drop tube furnace. Polycrystalline magnetite shell formed within 200 ms during the reduction. The grain size of the magnetite is in the order of magnitude of 10 µm. Lath magnetite was observed in the partly reduced samples. The grain boundary of magnetite was reduced to molten FeO firstly, and then the particle turned to be a droplet. The Johnson-Mehl-Avrami-Kolmogorov model is proposed to describe the kinetics of the reduction process. Both bulk and surface nucleation occurred during the reduction, which leads to the effect of size on the reduction rate in the nucleation and growth process. As a result, the reduction rate constant of hematite particles increases with the increasing particle size until 85 µm. It then decreases with a reciprocal relationship of the particle size above 85 µm.

In order to understand the thermal decomposition kinetics of hematite particles in inert atmosphere, thermogravimetriy was employed for isoconversional analysis. The kinetic triplet was estimated from the experimental data and the isothermal reaction kinetics was predicted. The results indicated that the thermal decomposition could be divided into two stages, of which the activation energies were 636 kJ/mol and 325 kJ/mol, respectively. The exponential form of pre-exponential factor, ln(A/s⁻¹), for the two stages were estimated to be 42.9±6.6 and 14.1±3.08. At last, the kinetic mechanism of the first stage was suggested to match Sestak-Berggren model as f(α)=(1−α)^1.38. The relatively slow reaction rate of the second stage was due to the slag formation during the reaction.

Effect of nut coke addition with ferrous burden (pellet and sinter mixture) is experimentally investigated under simulated blast furnace conditions. Nut coke mixing degree was varied (0, 20 and 40 wt-%) as a replacement of the regular coke. During smelting, the ferrous bed evolves through three distinct stages of shrinkage due to indirect reduction, softening and melting, respectively. Nut coke increases the reduction kinetics, limits softening and enhances iron carburization in the ferrous bed to affect all three stages. Additionally, nut coke physically hinders the sintering among the ferrous burden to keep the interstitial voids open, which exponentially increases the gas permeability. A significant impact of nut coke mixing occurs in the cohesive zone temperature range, which is decreased by 77°C upon addition of 40 wt-% nut coke. Various experimental results give supports for the extensive utilization of nut coke as a replacement of regular coke in the blast furnace.

Physicochemical behaviour of the pellets, sinters and its mixture (60% pellets: 40% sinter) is investigated by a series of smelting and quenching experiments. For all ferrous raw-material beds, three distinct stages of bed shrinkage occur due to indirect reduction, softening and melting. However, the characteristic nature (displacement, temperature and permeability) differ with the ferrous raw-material type. In mixed ferrous bed, the first and third stages are found to be controlled by the pellets (individual particle shrinkage) and sinter (slow melting rate), respectively. Second stage behaviour is initially observed to be close to the pellet and later to that of sinter. In mixed bed (upto 1505°C), the interaction between the pellet and sinter is limited to the interface only. The sinter slag is observed to control the melting and dripping properties of the mixed bed.These results gives an understanding of individual and mixed burden behaviour under blast furnace conditions.

Liquid-solid systems are frequently encountered in industrial processes and it is broadly recognised that numerical simulations are a useful tool for gaining insight in these processes. In this study, the unresolved CFD-DEM approach is extended with a complete momentum coupling for liquid-solid flows. Established correlations are used for the drag and lift forces, while new implementations are introduced for the unsteady interaction forces. A virtual mass force model based on the work of Felderhof (Felderhof 1991) is introduced, which accounts for the local particle volume fraction and the liquid-solid density ratio. The Basset history force, which is usually neglected due to computational difficulties related to its implementation, is evaluated according to the approach proposed by Parmar et al. A liquid fluidised bed is used as a demonstration case for the extended model. In this work, it is shown that with appropriate stabilisation measures, the Basset history force is approximated accurately (within 5%), while computational efficiency is maintained ( < 30% increase in computational time). Furthermore, the relevance of the complete momentum coupling is demonstrated by analysis of the solids mixing in the liquid fluidised bed. It is shown that when accounting for the complete interaction force, solids mixing is up to 20% slower compared to simulations with the drag-only approach.

One of the primary causes that limit the blast furnace productivity is the resistance exerted to the gas flow in the cohesive zone by the ferrous burden. Use of nut coke (10–40 mm) together with ferrous burden proves beneficial for decreasing this resistance. In present study, effect of nut coke addition on the olivine fluxed iron ore pellet bed is investigated under simulated blast furnace conditions. Nut coke mixing degree (replacement ratio of regular coke) was varied from 0 to 40 wt% to investigate the physicochemical characteristics of the pellet bed. Three distinct stages of bed contraction are observed and the principal phenomena governing these stages are indirect reduction, softening and melting. It is observed that nut coke mixing enhances the reduction kinetics, lowers softening, limits sintering and promotes iron carburisation to affects all three stages. In the second stage, the temperature and displacement range is reduced by 60°C and 24%, respectively upon 40 wt% nut coke mixing. Addition of nut coke exponentially increases the gas permeability (represented by pressure drop and S-value). A higher degree of carburisation achieved on the pellet shell (iron) is suggested to be the principal reason for decrease in the pellet melting temperature. The pellets softening temperature increases by approximately 4°C, melting and dripping temperature drops by 11°C and 12°C, respectively, for every 10 wt% nut coke addition. Consequently, the nut coke addition shortens the softening, melting and dripping temperature ranges, which shows improved properties of the cohesive zone.

HIsarna is a promising ironmaking technology to reduce CO ₂ emission. Information of phase transformation is essential for reaction analysis of the cyclone reactor of the HIsarna process. In addition, data of density and volume of the ore particles are necessary for estimation of the residence time of the particles in the cyclone reactor. Phase transformation of iron ore particles was experimentally studied in a drop-tube furnace under simulated cyclone conditions and compared with thermodynamic calculation. During the pre-reduction process inside the reactor, the mineralogy of iron ore particles transforms sequentially from hematite to sub-oxides. The density changes of the particles during the melting and reduction can be predicted based on the phase composition and temperature. Therefore, density models in the studies were evaluated with reported experimental data of slag. As a result, a more reliable density model was developed to calculate the density of the formed slag containing mainly FeO–Fe ₂ O ₃ . The density and volume of the partially reduced ore particles or melt droplets were estimated based on this model. The results show that the density of the ore particles decreases by 15.1% at most along the progressive reduction process. Furthermore, the model results also indicate that heating, melting and reduction of the ore could lead to 6.63–9.37% swelling of the particles, which is mostly contributed by thermal expansion. It would result in corresponding variation in velocity of the ore particles or melt droplets during the flight inside the reactor.

Melting and reduction of fine iron ore particles in the gas environment of a HIsarna smelting cyclone is a critically important topic, but very limited information is currently available except for some experimental data from high temperature drop tube furnace (HTDF). This work discusses the equilibrium state of reacting iron ore in the HTDF environment by thermodynamic calculations to strengthen the understanding of the HIsarna process. The limit of reduction termination of the ore particles was estimated in the calculation for the thermal decomposition and topochemical gas reduction. The theoretical calculation results are compared with the experimental data from the previous studies. Furthermore, variation of slag composition and iron valence states were estimated theoretically to understand the effects of post combustion ratio value and hydrogen/carbon ratio on the equilibrium state of the ore particles in the reducing gas.