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By F Tang, Ö K. Büyükuslu, M Baben, S Petersen

GTT-Technologies’ ChemApp for Python was developed to provide a powerful, easy to use interface to ChemApp for a programming language highly popular with scientists and engineers. It is used, for instance, by GTT to develop program modules such as the CALPHAD Optimiser for the FactSage™ software, by customers to move from interactive FactSage calculations to perform versatile scripting with Python, and by GTT and its partners in research projects in the area of materials informatics. Computational thermochemistry is fundamental for advancing sustainable metallurgy and creating new alloy compositions for engineering applications. Materials informatics involves handling vast amounts of data and complex workflows. GTT’s approach uses ChemApp for Python and the FactSage thermodynamic databases to design recyclable alloys from the start, incorporating a higher percentage of scraps while aiming to simplify the workflows to simulate material design steps. Challenges arise due to recycling scraps, introducing more elements for consideration. CALPHAD-based databases accurately cover materials from primary metallurgy, but additional data for minority and critical elements is crucial for precise computational modelling. GTT combines machine learning-based ab-initio databases with traditional CALPHAD databases to cover the complete chemical space with appropriate accuracy. The design of a hardfacing alloy through a high-throughput materials informatics approach is used as a demonstrator of the current possibilities.

Jun 19, 2024

By G King, Q Shu, W Cao, F Gyakwaa, H Singh, S Wang, M Huttula, T Fabritius

Metallurgical slag, such as refining slag, is essential to enhance or promote steel cleanliness. The CaO–MgO–Al2O3–SiO2 system is the primary source of oxides-based inclusions. It plays a vital role in applications in various pyrometallurgical processes. Numerous thermodynamic databases and physicochemical properties of slag studies mainly focus on quenched samples and measurements at room temperature. Consequently, the present study explored the physicochemical, structural properties and crystallisation evolution for CaO–MgO–Al2O3–SiO2 glassy slags via in situ hightemperature Raman spectroscopy and synchrotron X-ray diffraction. The study was carried out by synthesising CaO–MgO–Al2O3–SiO2 slag with varying Al2O3/SiO2 ratios. The results from the in situ high-temperature measurement demonstrated a pattern showing a transformation of a broad peak from the glassy matrix to crystalline peaks. The study showed crystallisation of dominant phases such as Ca2SiO4, Ca2Al2SiO7 and CaAl2O4 that correspond and are attributable to changes of structural units during in situ high-temperature measurements. The results further showed a correlation between an increase and transformation in crystalline phases observed from the spectra obtained from non-isothermal heating of the samples.

Jun 19, 2024

By K Vallo, T Haimi, J Pihlasalo, J Hamuyuni, M Lindgren, F Tesfaye

Decarbonisation of the steel industry has recently attracted a lot of research and technological development. Most of the technological developments are centred around the replacement of blast furnace (BF), which has been the main primary smelting furnace in the ironmaking step of steel production. Replacement of the BF is not an easy task because of BF’s many established capabilities over the years, especially its ability to use low-grade iron feed. In this regard, Metso has developed its own technology, Metso’s Outotec direct reduced iron (DRI) smelting furnace, to tackle this problem. The recently developed six-in line electric furnace for DRI smelting can be used for primary smelting of DRI from blast furnace grade iron ore. Unlike the electric arc furnace (EAF), the DRI smelting furnace can handle larger slag volumes that emanate from the high gangue in BF grade DRI. Therefore, fluxing plays an important role in operating the DRI smelting furnace. This paper presents fluxing options and proposes slag quality and operating windows for the DRI smelting furnace. Also, the effect of slag on refractory durability will be discussed.

Jun 19, 2024

By S Bright, M J. Masamvu, E K. Chiwandika, S Dandi, S M. Masuka

The depletion of high-grade hard and lumpy chrome ores has forced Zimbabwean ferrochrome producers to resort to low-grade friable ores that have an average of 28 per cent fines against a set limit of 12 per cent. Submerged open arc furnaces currently in use are associated with eruptions within the furnace because of the high amounts of fines, high energy consumption, as well as high SO2 and CO2 emissions. Traditionally employed agglomeration methods such as pelletising and the use of coke in the furnace have been discarded because of the pressure to lower operational costs and to achieve higher profit margins. This research aims to develop a method to incorporate lowgrade friable ore fines and unprocessed coal into production while lowering CO2 and SO2 emissions through a closed direct current (DC) arc furnace. The closed DC arc furnace could incorporate the friable ores and coal while maintaining above 90 per cent reduction rates. Preliminary findings also show that energy consumption could be reduced by up to 35 per cent by incorporating a pre-heating and pre-reduction system using the flue gases from the furnace. In the proposed circuit, the cost of production per ton of ferrochrome might be potentially lowered by an average of 30 per cent.

Jun 19, 2024

By I H. Jung, W O. Choe

Gallium (Ga)-containing compounds such as Gallium Arsenide (GaAs) and Gallium Nitride (GaN) are widely used in electronic devices due to their superior electro-optical properties and their usages increase rapidly. For the sustainable supply of Ga to electronic industry, therefore, the recycling of Gallium becomes essential. Pyrometallurgical Ga recycling process involves the complex chemical reactions between slag, matte, liquid metal, gas, refractories, etc. Therefore, the accurate thermodynamic information and phase diagram data for the oxide system containing Ga2O3 is important. In the present study, new phase diagram experiments for binary SiO2-Ga2O3 and ternary CaO-SiO2-Ga2O3 system are carried out using Differential Thermal Analysis (DTA) and quenching experiments followed by Electron Probe Micro-Analyser (EPMA) and X-Ray Diffraction (XRD) phase analysis. Based on new phase diagram data and available literature data, the thermodynamic modelling of the entire CaO-SiO2-Ga2O3 system is performed for the first time.

Jun 19, 2024

By J Safarian, D Hariswijaya

Treating bauxite residue as an alternative source of metals for iron and aluminium industry is an approach to promote circular economy in metal industries. Reduction of metal oxides with H2-based process is an important step on decarbonisation of metal industry. In this study bauxite residue pellets were prepared and were reduced with different H2-H2O gas compositions at different temperatures which yielded with various degrees of reduction. The bauxite residue pellets were made from a mixture of bauxite residue and Ca(OH)2 powders and sintered at 1150°C. Hydrogen reduction was carried out on the oxide pellets using a resistance furnace at elevated temperatures in controlled reduction atmosphere of H2-H2O gas mixtures which resulted in reduction of iron oxides in the pellets. Unreduced and reduced pellets were subsequently heated to 1400°C to study their smelting behaviour using differential thermal analysis (DTA) and thermogravimetric analysis (TGA) technique to investigate the evolution of phases related to slag formation via smelting. Equilibrium module of Factsage™ ver 8.1 was utilised to analyse results of thermal analysis. It was observed that Tricalcium phosphate-β (CaP2O8), Bredigite (Ca7Si4MgO16), Rankinite (Ca3Si2O7), and calcium alumino ferrite (Ca[Al,Fe]6O10) were formed during thermal analysis as intermediate phases. The initial slag formation for sintered and reduced pellets occurred at 900°C which mainly contains calcium and small amount of strontium component. The slag formation rate increases significantly starting from 1100°C when iron oxides started to form initial molten slag phase which then followed by other oxides dissolution in the system. Gas formation was observed at 1180°C and it was found that the gas to be released from unreduced pellets is O2 meanwhile the gas to be released from reduced pellets is SO2 gas. Gas formation rate for both pellets start to increase at 1280°C when the remaining chemically bonded gas start to be released from the system.

Jun 19, 2024

By H Kim, M J. Sun

In order to reduce carbon emissions from the steelmaking process and achieve carbon neutrality, global steel companies are establishing their own medium to long-term strategies and implementation plans using competitive technological advantages held by each steel company. At this point, Hyundai Steel has formulated a product-oriented carbon-neutral strategy based on innovative processing that makes use of Hyundai Steel’s own strength. Based on our experience in electric arc furnace product manufacturing and blast furnace operation in an integrated steel mill, Hyundai Steel is driving the Hy3 (Hy-cube) project, which involves a unique hybrid production system utilising hydrogen and hydrogen-based renewable energy sources. This initiative aims to achieve carbon-neutral production and eventually specialise in producing premium carbon-neutral automotive parts. The project has originality in that it involves not only designing processes using electric furnaces to produce premium steel products such as car body panels and electrical steel sheets, but also aims to reduce carbon emissions from the process, developing carbon-neutral products based on market demand. To assess the feasibility of the Hy3 project, Hyundai Steel conducted two pilot productions. The first pilot was producing a prototype of lower-arm part using electric arc furnace with three different kinds of raw materials: molten iron, HBI (hot briquetted iron), and scrap. Successful performance evaluation of auto parts with 1 GPa strength was achieved. The second pilot has been focused on tire cord steel, with the first-phase tests yielding a 33 per cent reduction in carbon footprint (CFP). Using the advantages of operating experience in electric arc furnace, Hyundai Steel is preparing for test operations producing various automotive parts using an electric arc furnace (EAF) to advance the Hy3 concept. From a medium to long-term technological development perspective, Hyundai Steel’s blueprint includes producing high-end carbon-neutral steel products using hydrogen-reduced iron as raw material.

Jun 19, 2024

By N Kado, T Iwama, R Inoue, S Ueda

Steelmaking slags are usually used as roadbed and civil engineering materials. However, the expansion phenomenon, which is caused by the volume expansion during hydration of free CaO and free MgO contained in steelmaking slag, is indispensable. Since the hydration of free MgO in steelmaking slag is much slower than that of free CaO, it is qualitatively considered that free MgO contributes to the hydration expansion of steelmaking slag over a long period of time. Similar to free CaO, free MgO consists of undissolved MgO and crystallised MgO in steelmaking slag. The latter precipitates during slag cooling. When divalent metal oxides (FeO, MnO, CaO) are dissolved in the crystallised MgO to form a MgO-based solid solution, it is expected to inhibit the hydration reaction similar to precipitated CaO. From the previous hydration test of Magnesioferrite, which was calcined after mixing MgO and Fe2O3 reagents, it was found that the higher the Fe2O3 concentration, the slower the hydration reaction progressed. In this study, by clarifying the influence of calcination conditions of MgO-FeO and MgO-FeO-MnO solid solutions, which were prepared by the calcination of mixture of MgO, FeO and MnO reagents, on their hydration reactivity, the effect of composition and thermal treatment on the formation of free MgO that is not hydrated (or easily hydrated) were discussed. To investigate the influence of MgO grain size, coarse MgO particles, which were obtained by crushing MgO crucible, were also used for heat treatment. With increasing the amount of FeO and MnO in the MgO-FeO-MnO solid solution, the hydration reaction became more suppressed. The expansion suppression effect was higher with solid-solved FeO than with solidsolved MnO. When the calcination temperature of the MgO-FeO solid solution was increased, the Fe3+/Fe2+ concentration ratio increased, resulting in a higher hydration rate.

Jun 19, 2024

By M M. Pande, M Ishfaq

The effect of aluminium on nitrogen solubility was investigated by equilibrating melt comprising master alloy of Fe-Al with pure electrolytic iron in a controlled atmosphere (pure argon) at 1873 K. Nitrogen in the samples was measured by sampling technique using inert gas fusion absorptiometry. It was found that nitrogen content decreases steadily with aluminium concentration and gradually, becomes close to 1 ppm for very high aluminium steels. Wagner’s second order interaction parameter formalism has been used to estimate the equilibrium constant and interaction parameters. Scanning electron microscopy (SEM) investigation showed, dual-phase inclusions comprising AlN phase surrounding alumina core. The 3D morphology of inclusions was studied by extracting the sample from the top and the central bottom portion of the solidified ingot. A sparse distribution of nitrogen was found for most of the inclusions which manifested the presence of almost pure alumina inclusions with different morphologies and sizes.

Jun 19, 2024

By X Li, R Chu, X Deng

The hot-dip galvanising industry is the largest consumer of zinc, with over 40 per cent of the world’s total annual production of zinc used for galvanised steel. The dross generated in the hot-dip galvanising coating process is a valuable co-product, since it contains high quantities of recyclable metal. A new method to recover the metal from the industrial galvanising dross was proposed using supergravity separation. During the hot-dip galvanising process, the presence of zinc dross has a serious impact on the surface quality of the hot-dip galvanised sheet, forming zinc dross defects. To reduce the impact of zinc dross, the zinc dross on the surface of the zinc pool needs to be manually or mechanically removed at regular intervals. However, during the dross removal process, a large amount of metal zinc is inevitably carried out, resulting in low zinc utilisation rate and high zinc loss rate. This article proposes an efficient and low-cost technology for the recycling and utilisation of hotdip galvanised dross, which uses super-gravity technology to recover hot-dip galvanised dross online. The metal in the hot-dip galvanised dross returns to the zinc pot in situ, while a small part of the dross remains in the super-gravity equipment, which can reduce the amount of zinc dross by more than 60 per cent and achieve a reduction in zinc loss from 17 per cent to less than 7 per cent.

Jun 19, 2024

By P Kumar, J Safarian

Understanding how ore interacts with flux particles at elevated temperatures to create molten slag is crucial since it governs the dynamics of a chemical reaction. This study explores the smelting behaviour of pre-reduced Nchwaning manganese ore when combined with lime, with the objective of examining the evolving interaction between pre-reduced ore particles and lime over time. The research sheds light on the interaction between solid and liquid and the phases that emerge during this process. To achieve this, a sessile drop furnace was employed to rapidly heat the materials positioned adjacent to each other on an alumina substrate and to observe the smelting process as it unfolded over time. This method allowed for the direct observation of the melting temperatures and the flux-ore reaction progression rate, and the potential disruptive events that might occur. By comparing the molten interfaces of the fluxed materials at various time intervals, this study provides insights into the relative rate of slag formation from the two materials. The results indicate that the main slag formation initiated at approximately 1400°C and continued to advance with time, with complete mixing occurring around 1500°C. The possible phases formed were identified using Scanning Electron Microscopy and modelled using Fact Sage thermodynamic software. In addition, the iron particles in the pre-reduced Mn ore were separated and settled from a rich MnO-containing slag. It was found that the separation of molten iron droplets from the slag depends on the rate of solid MnO particles dissolution into the adjacent slag phase.

Jun 19, 2024

By C Samuelsson, Q Shu, A Lennartsson, F Gyakwaa, A Andersson, J Isaksson

The physico-chemical property, viscosity, is essential for pyrometallurgical processes and influences the settling rate of valuable metal droplets in slag, affecting the metal recovery. The copper slag from smelting furnaces typically contains between 1 and 2 wt per cent Cu, which equals to or is higher than in most sulfidic copper ores mined today, meaning the slag is a valuable resource for copper extraction. A low viscosity is desirable for slag-cleaning through a settling furnace where entrained droplets settle under gravity. One approach to control the viscosity is through the slag composition. The literature has limited data on the correlation between viscosity, slag structure, and optical basicity of iron silicate slag with FeO/SiO2, CaO, and Al2O3 as factors. Therefore, the present study evaluated the influence of these factors on viscosity and correlations with slag structure and optical basicity. The FeO/SiO2 ratio (at%/at%) and the CaO and Al2O3 content were altered in two levels, resulting in a two-level full factorial design with three factors. The study was done by synthesising FeO–SiO2–Al2O3–CaO–MgO–Cr2O3 melts, followed by water granulation. The melt structure of the samples was analysed with the help of Raman Spectroscopy. The viscosity was then estimated with a high-temperature rheometer using a Mo spindle and crucible. The results showed a correlation between the optical basicity, FeO/SiO2 ratio, and viscosity, where a high optical basicity and FeO/SiO2 ratio were beneficial for achieving a low melt viscosity.

Jun 19, 2024

By S Basu, S L. A Gowravaram

CaF2 has been a common constituent in a wide variety of welding fluxes, including those used for submerged arc welding (SAW). The widespread use of CaF2 stems from its role in lowering the liquidus temperature as well as the viscosity of the molten slag that covers the weld pool. However, the harmful effect of fluoride evaporation from molten flux, on the environment as well as the health of the users is becoming increasingly evident over the years. This has led to increasing attention towards reducing the CaF2 concentration in the fluxes. The fluoride-free formulations face the challenging requirement to maintain the thermo-physical properties (viscosity, liquidus temperature etc) like those observed in fluoride-containing fluxes. In the present work, three fluxes with compositions in the CaO-MnO-SiO2-Al2O3 system have been identified as promising alternatives to the CaF2-rich fluxes. However, the thermo-physical properties of any such flux need to be comparable to CaF2-based commercial SAW fluxes before it can be adopted for regular use. The single hot thermocouple technique (SHTT) has been used by several researchers in the past as a tool for observing the melting and solidification characteristics of fluxes. This device has been developed in the present work and is used to characterise the melting behaviour of the fluxes. The measured solidus and liquidus temperatures from SHTT were compared with the results from differential thermal analysis (DTA) and simulations using the FactSage™ software for a comprehensive understanding. In spite of having a slight deviation in the measured values from the multiple techniques, the results obtained from these multiple methods show that the selected compositions could be potential CaF2 free alternative welding fluxes.

Jun 19, 2024

By E Jak, P Hayes, J Chen

The paper provides an overview of the various analytical and microanalytical techniques currently in use to characterise the outcomes of pyrometallurgical processes, examining the advantages and limitations of these approaches. Specific focus with be given to quantitative microanalysis techniques including electron probe microanalysis and laser ablation, covering general principles, capabilities and limitations and recent development to address specific challenges associated with analysing molten slag, matte, and alloys, highlighting the necessity of embracing the application of these and other innovative analytical methodologies.

Jun 19, 2024

By S Mitra, B J. Monaghan, T Honeyands, G Evans, R Chowdhury, D Scimone

Due to the harsh operating conditions, wearing of the inner refractory lining in a Basic Oxygen Steelmaking (BOS) furnace reduces the useful life of the refractories and incurs a significant cost component for relining. In this study, firstly, a combined compressible and incompressible computational fluid dynamics (CFD) model was developed to identify the potential wear prone zones in an industrial scale BOS system during the supersonic oxygen blowing phase by quantifying the wall shear stress distributions. Next, the retained slag splashing process was simulated by introducing an inert gas to residual slag mass to achieve a protective coating on the refractory walls. Effect of both design and operational parameters such as lance head configuration, lance position and the initial slag volume on the slag wall coating performance were quantified and most favourable conditions were determined.

Jun 19, 2024

By K Nakashima, K Aya, T Sumita, N Saito

Electro slag remelting (ESR) is one of the methods used to produce high-cleanliness steel. In the ESR method, the product steel electrode is immersed in flux, and the electrode is melted by the Joule heat of the flux generated by high current. CaF2-based melts are mainly used as fluxes, but the electrical conductivity of CaF2-based melts varies widely among researchers and measurement methods. Therefore, this experiment aims to measure the electrical conductivity of CaF2-based melts based on the van der Pauw-Ohta method, which does not require the cell constant that is a fundamental error factor in electrical conductivity measurement at high temperatures. The measurement temperature was set at 1450–1600°C, and dehydrated Ar flowed through the furnace at 200 mL/min. Electrodes were fabricated by Pt-30mass per cent Rh alloy, and the electrodes were connected to an impedance analyser using a four-terminal probe. The electrodes were immersed in the melt, and the impedance and phase angle were measured by AC frequency sweep (50 Hz to 200 kHz). The electrical conductivity was then calculated by utilising the impedance’s real part values when the impedance’s imaginary component was zero. The electrical conductivity showed a positive temperature dependence. The electrical conductivity of 60(CaO⋅Al2O3)-40CaF2 melt increased with increasing temperature but was found to be roughly one-third of those of the previous studies. In the conductivity measurement of 60(CaO⋅Al2O3)-40CaF2 melt, the AC frequency with a phase angle of 0° was found to be different depending on the temperature and immersion depth. By sweeping the frequency, the impedance at the phase angle of 0° can be obtained, which enables us to measure the electrical conductivity more accurately.

Jun 19, 2024

By Y Cui, G Cao, H Zong, J Zheng, J Wang, S Yue, J Zhao, B Li

The iron (Fe) concentration in nickel slag is high, making its recovery and utilisation a hot and challenging topic. In the nickel smelting process, using CaO instead of SiO2 to adjust slag’s composition, and then directly reducing Fe from the output of molten slag is a more feasible method in practice for Fe recovery in nickel slag. The adjustment of slag’s composition in the nickel smelting process will have an impact on the distribution of impurity elements such as Pb, Zn, and As. In this paper, the slag adjustment of nickel smelting process was carried out with the oxygen-enriched topblowing system. The distribution of impurity elements in the smelting products with each composition slag was conducted by using thermodynamic software. Experimental verification was performed with rich oxygen top-blowing, and the distribution characteristics of impurity elements in the smelting products were characterised to explore the differences in mineral phases of impurity elements with each smelting conditions, elucidating the distribution patterns of Pb, Zn, and As in each phase. The results indicate that after slag adjustment, impurity elements are more easily to volatilisation and removal into the gas, reducing their total concentration in slag and matte. In the slag, the existence form of Pb, Zn is changed from silicate to ferrate, and As is changed from arsenate to low-valent arsenic oxide. It is easier to decompose the impurity-containing mineral phase and remove the impurity elements in the subsequent iron extraction process.

Jun 19, 2024

By J Safarian, M K. Kar

Bauxite residue is one of the most important by-products from the alumina industry with no commercial use till now. The utilisation of bauxite residue through pelletising with different lime additions, hydrogen reduction, and smelting has been studied in this work. Three different types of green pellets were made with varying calcite-to-bauxite residue ratio and subsequently sintered at elevated temperatures. The sintered pellets were isothermally reduced at 1000°C under hydrogen gas followed by smelting of the reduced pellets in argon at 1500°C. Smelting of the reduced pellets leads to the recovery of metallic iron and the formation of a leachable calcium aluminate slag. X-ray diffraction (XRD) and scanning electron microscope (SEM) were used to characterise the phases and microstructural analysis. The iron produced in the smelting process has a high purity, above 99.5 wt per cent. While the iron content of the slags is quite low, and the slags shows variations of krotite (CaAl2O4), gehlenite (Ca2Al2SiO7), and perovskite (CaTiO3) phases based on the variation of calcite addition. It was found that the more calcite addition in pelletising yields higher percentage of krotite phase as compared to lower calcite-containing pellets. Employing quantitative XRD analysis, the krotite phase fraction was found approximately 85 wt per cent for higher calcite-added pellet, and around 74 wt per cent for lower calcite-added pellet. FactSage™, ver 8.1 (Thermfact and GGTTechnologies) thermodynamic software was used to evaluate the obtained experimental data, they both revealed that the

Jun 19, 2024

By H F. Yu, S Ueda, J Diao, W F. Gu, Y Sasaki, H Qin

The main reason for the underutilisation of steelmaking slags is their instability, which is influenced by their complex phase structure. Recycling and sustainable steelmaking slag face challenges due to the presence of magnesium oxide (MgO), a crucial component in steelmaking slag. This study investigates the phase evolution of steelmaking slag during the cooling process with different MgO contents, using high-temperature experiments and FactSage™ software, ver 8.1, (by Thermfact/CRCT and GTT-Technologies) thermodynamic equilibrium calculations. X-ray diffraction (XRD) and scanning electron microscope - energy dispersive x-ray spectroscopy (SEM-EDS) analyses identified main phases in steelmaking slag, including Ca2SiO4 (C2S), RO (MgO-FeO solid solution), Ca2Fe2O5 (C2F), and Ca3SiO5 (C3S). The study reveals that RO phase increases as the MgO content increases. C3S precipitates from steelmaking slag with a 12 mass per cent MgO content at a reduced temperature of 1400°C. It is important to note that C3S remains in the steelmaking slag even after slow cooling. This may be due to the substitution of Ca2+ in C3S by Fe2+ and Mg2+ ions. Intriguingly, the precipitation of f-CaO in steelmaking slag with 10 mass per cent of MgO content occurred after one year, while there was no manifestation of f-CaO precipitation in the steelmaking slag with 12 mass per cent of MgO content even after one year. This discrepancy suggests a potential stabilising effect of an appropriate amount of MgO in steelmaking slag. However, it is crucial to emphasise that this inference lacks supporting data, necessitating further research to validate this hypothesis. The significance of this work is in uncovering the complexities of steelmaking slag behaviour, providing essential insights for optimising recycling processes. The research sheds light on the factors that influence the phase composition and stability of steelmaking slag, contributing to the utilisation of steelmaking slags, promoting environmental sustainability, and enhancing the overall efficiency of metallurgical processes in the current industrial landscape.

Jun 19, 2024

By S Khadhraoui, T Yusuf, C Kirmse, E Hecker, R Degel, A Akouch, N Borowski, M Reuter

For an optimal design and control of metallurgical processes, a deep understanding of the thermodynamics of the governing reactions is required. Modelling the thermochemical behaviour of those reactions is complex, as it involves multi-component and multi-phase systems. For this purpose, thermodynamic computing systems such as FactSage™ (Bale et al, 2016), which combine Gibbs energy minimisation routines with large databases of optimised thermodynamic data of solutions and compounds, have been used within the SMS group GmbH. Recently, the successful integration of those thermodynamic computing systems into the digital platforms of SMS has been achieved through ChemApp, which made running complex thermochemical calculations in Python-integrated development environments possible. ChemApp is a programmer’s package for thermochemistry and incorporates the Gibbs energy minimiser of FactSage™ as reported by Petersen and Hack (2007) as well as by Zietsman and Petersen (2018). The digital platforms link the fundamental and the industrial aspects together and can be applied as a process advisor, or for the evaluation of the environmental footprint and the economic implications of different process routes, as discussed by Reuter (2023). Two examples illustrating the progress of the developments in this regard will be introduced: 1. The Tilting Refining Furnace (TRF) for copper scrap recycling and refining to anode copper (the BlueControlApp). 2. Dephosphorisation control for the oxygen steelmaking process (Basic Oxygen Furnace (BOF)).

Jun 19, 2024