Swerim

A versatile generic framework for parent grain reconstruction from fully or partially transformed child microstructures has been integrated into the open-source crystallographic toolbox MTEX. The framework extends traditional parent grain reconstruction, phase transformation and variant analysis to all parent–child crystal symmetry combinations. The inherent versatility of the universally applicable parent grain reconstruction methods and the ability to conduct in-depth variant analysis are showcased via example workflows that can be programmatically modified by users to suit their specific applications. This is highlighted by three applications, namely α′-to-γ reconstruction in a lath martensitic steel, α-to-β reconstruction in a Ti alloy, and a two-step reconstruction from α′ to ɛ to γ in a twinning and transformation-induced plasticity steel. Advanced orientation relationship discovery and analysis options, including variant analysis, are demonstrated via the add-on function library ORTools .

Over the last few decades, the European steel industry has focused its efforts on the improvement of by-product recovery and quality, based not only on existing technologies, but also on the development of innovative sustainable solutions. These activities have led the steel industry to save natural resources and to reduce its environmental impact, resulting in being closer to its “zero-waste” goal. In addition, the concept of Circular Economy has been recently strongly emphasised at a European level. The opportunity is perceived of improving the environmental sustainability of the steel production by saving primary raw materials and costs related to by-products and waste landfilling. The aim of this review paper was to analyse the most recent results on the reuse and recycling of by-products of the steelmaking cycles as well as on the exploitation of by-products from other activities outside the steel production cycle, such as alternative carbon sources (e.g., biomasses and plastics). The most relevant results are identified and a global vision of the state-of-the-art is extracted, in order to provide a comprehensive overview of the main outcomes achieved by the European steel industry and of the ongoing or potential synergies with other industrial sectors.

The CO2 solubilities (including CO2 Henry's constant) in physical- and chemical-based ILs/DESs and the COSMO-RS models describing these properties were comprehensively collected and summarized. The summarized results indicate that chemical-based ILs/DESs are superior to physical-based ILs/DESs for CO2 capture, especially those ILs have functionalized cation and anion, and superbase DESs; some of the superbase DESs have higher CO2 solubilities than those of ILs; the best physical- and chemical-based ILs, as well as physical- and chemical-based DESs are [BMIM][BF4] (4.20 mol kg−1), [DETAH][Im] (11.91 mol kg−1), [L-Arg]-Gly 1:6 (4.92 mol kg−1) and TBD-EG 1:4 (12.90 mol kg−1), respectively. Besides the original COSMO-RS mainly providing qualitative predictions, six corrected COSMO-RS models have been proposed to improve the prediction performance based on the experimental data, but only one model is with universal parameters. The newly determined experimental results were further used to verify the perditions of original and corrected COSMO-RS models. The comparison indicates that the original COSMO-RS qualitatively predicts CO2 solubility for some but not all ILs/DESs, while the quantitative prediction is incapable at all. The original COSMO-RS is capable to predict CO2 Henry's constant qualitatively for both physical-based ILs and DESs, and quantitative prediction is only available for DESs. For the corrected COSMO-RS models, only the model with universal parameters provides quantitative predictions for CO2 solubility in physical-based DESs, while other corrected models always show large deviations (> 83%) compared with the experimental CO2 Henry's constants.

The variant graph is a new, hybrid algorithm that combines the strengths of established global grain graph and local neighbor level voting approaches, while alleviating their shortcomings, to reconstruct parent grains from orientation maps of partially or fully phase-transformed microstructures. The variant graph algorithm is versatile and is capable of reconstructing transformation microstructures from any parent-child combination by clustering together child grains based on a common parent orientation variant. The main advantage of the variant graph over the grain graph is its inherent ability to more accurately detect prior austenite grain boundaries. A critical examination of Markovian clustering and neighbor level voting as methods to reconstruct prior austenite orientations is first conducted. Following this, the performance of the variant graph algorithm is showcased by reconstructing the prior austenite grains and boundaries from an example low-carbon lath martensite steel microstructure. Programmatic extensions to the variant graph algorithm for specific morphological conditions and the merging of variants with small mutual disorientation angles are also proposed. The accuracy of the reconstruction and the computational performance of the variant graph algorithm is either on-par or outperforms alternate methods for parent grain reconstruction. The variant graph algorithm is implemented as a new addition to the functionalities for phase transformation analysis in MTEX 5.8 and is freely available for download by the community.

This paper considers the utilisation of forest biomass in iron and steel making by putting focus on the supply of available raw biomass assortment, biomass conversion technologies, and distribution of biomass-based products towards reduced fossil CO2 emissions in the iron and steel industry. Biomass-based products are produced by converting biomass assortments from forestry operations and forest industries via slow pyrolysis and gasification technologies. Using a spatially explicit cost optimisation model, biomass supply is optimised to suit the corresponding demand for energy and material substitution, and the extent to which biomass can be a tool in CO2 abatement is explored. The study findings show that maximum use of biomass-based products result in a 43% reduction in CO2 emissions across the existing steel producing technologies. Results also show that increasing the rate of biomass utilisation via substitution targets is more effective than the use of a carbon pricing policy, since the maximum CO2 reduction is unmet even with very high CO2 prices. In the scenario analysis, it is found that low fossil fuel prices constitute a barrier to adopting biomass as an alternative to fossil energy use. Compared to the business-as-usual case, a maximum of 27% increase in energy-related costs was calculated for the industry.

Evaluation for electrochemical CO 2 reduction to C1 with Ionic liquids.

Welding fume particles are hazardous. Their toxicity likely depends on their composition and reactivity. This study aimed at exploring the role of sodium or other fluorides (NaF), which are intentionally added to flux-cored wire electrodes for stainless steel welding, on the solubility (in phosphate buffered saline) and toxicity of the generated welding fume particles. A multi-analytical particle characterization approach along with in-vitro cell assays was undertaken. The release of Cr(VI) and Mn from the particles was tested as a function of fluoride solution concentration. The welding fume particles containing NaF released significantly higher amounts of Cr(VI) compared with solid wire reference fumes, which was associated with increased cytotoxicity and genotoxicity in-vitro. No crystalline Na or potassium (K) containing chromates were observed. Cr(VI) was incorporated in an amorphous mixed oxide. Solution-added fluorides did not increase the solubility of Cr(VI), but contributed to a reduced Mn release from both solid and flux-cored wire fume particles and the reduction of Cr(VI) release from solid wire fume particles. Chemical speciation modeling suggested that metal fluoride complexes were not formed. The presence of NaF in the welding electrodes did not have any direct, but possibly an indirect, role in the Cr(VI) solubility of welding fumes.

Lowering the carbon consumption and fossil CO2 emissions is a priority in blast furnace (BF) ironmaking. Renewable biomass is one option that can play an important role in future low-carbon ironmaking particularly in the countries rich in biomass resources. In this study, full-scale trials to investigate the impact of briquettes containing torrefied sawdust on the BF efficiency and process stability have been conducted. Briquettes containing 1.8% of torrefied pelletized sawdust (TPS), 86.2% of steel mill residues, and 12% cement with sufficient mechanical strength have been produced on industrial scale. The bio-briquettes were charged at two different rates: 37% ( ~ 39 kg/tHM) and 55% ( ~ 64 kg/tHM) bio-briquettes to the SSAB BF No. 4 in Oxelösund. The gas utilization was higher during bio-briquette-charging periods without change in pressure drop up to 55% bio-briquettes, indicating sustained shaft permeability. BF dust generation or properties did not change significantly. Measurements of the top gas composition using mass spectrometry did not indicate release of hydrocarbon from TPS in connection to the charging of bio-briquettes. Evaluation of process data has been carried out using a heat and mass balance model. The evaluation of operational data in the model indicated lowering of thermal reserve zone temperature by 45 °C and reduction in carbon consumption by ~ 10 kg/tHM when charging 55% bio-briquettes compared to the reference case. The total CO2 emission was reduced by about 33–40 kg/tHM when using 55% bio-briquettes.

Iron and steel making is one of the most intense energy consuming in the industrial sectors. The intensive utilization of fossil carbon in the ironmaking blast furnace (BF) is related directly to CO2 emission and global warming. Lowering the energy consumption and CO2 emission from BF comes on the top priorities from both economic and environmental aspects. The BF has undergone tremendous modifications and development to increase production and improve the overall efficiency. Both technological development and scientific research drive one another to reach optimum operation conditions, which are very close to the ideal conditions; however, further development is still required to meet the stringent environmental regulations. The present article provides a comprehensive review of recent research and development which were carried out in modern blast furnace to increase the productivity meanwhile reduce the energy consumption and CO2 emission to meet the demand of steel market and the environmental protection. The recent technological and metallurgical improvements in the BF are intensively discussed including: (i) modifications of BF design, top charging and measuring system, (ii) upgrading of conventional top charging burden and alternative agglomerates, (iii) developing of tuyeres injection system and injected materials, and (iv) potentials of waste heat recovery and usage. These topics are reviewed and discussed in some details to elucidate the potential of recent progress in BF technology in saving the energy consumption and lowering CO2 emission. In this paper, the major research and development which have been carried out in ironmaking BF technology are reviewed with an overview of the future prospects.

Millions of people in the world perform welding as their primary occupation resulting in exposure to metal-containing nanoparticles in the fumes generated. Even though health effects including airway diseases are well-known, there is currently a lack of studies investigating how different welding set-ups and conditions affect the toxicity of generated nanoparticles of the welding fume. The aim of this study was to investigate the toxicity of nine types of welding fume particles generated via active gas shielded metal arc welding (GMAW) of chromium-containing stainless steel under different conditions and, furthermore, to correlate the toxicity to the particle characteristics. Toxicological endpoints investigated were generation of reactive oxygen species (ROS), cytotoxicity, genotoxicity and activation of ToxTracker reporter cell lines. The results clearly underline that the choice of filler material has a large influence on the toxic potential. Fume particles generated by welding with the tested flux-cored wire (FCW) were found to be more cytotoxic compared to particles generated by welding with solid wire or metal-cored wire (MCW). FCW fume particles were also the most potent in causing ROS and DNA damage and they furthermore activated reporters related to DNA double- strand breaks and p53 signaling. Interestingly, the FCW fume particles were the most soluble in PBS, releasing more chromium in the hexavalent form and manganese compared to the other fumes. These results emphasize the importance of solubility of different metal constituents of the fume particles, rather than the total metal content, for their acute toxic potential.

A novel process design and techno-economic performance assessment for methanol synthesis from Blast Furnace Gas (BFG) is presented. Methanol synthesis using BFG as a feedstock, based on direct CO2 hydrogenation at commercial scale was simulated using Aspen Plus software to evaluate its technical performance and economic viability. The applied process steps involve first conditioning BFG using adsorption based desulfurisation, water-gas shift, dehydration, then separation of components into N2, CO2 and H2 rich streams using pressure swing adsorption. The H2 stream and a fraction of the CO2 stream are fed to a methanol synthesis system, while the remaining CO2 may be considered for geological storage in a Carbon Capture, Utilization and Storage (CCUS) case, or not in a Carbon Capture Utilization (CCU) case. Techno-economic analysis confirms methanol production from BFG is economically attractive under certain conditions, with Levelized Cost of Methanol production (LCOMeOH) calculated to be 344.61 £/tonne-methanol, and costs of CO2 avoided of - 20.08 £/tonne-CO2 for the CCU process and 9.01 £/tonne-CO2 for the CCUS process when using a set of baseline engineering assumptions. Sensitivity analysis of the process simulation explores opportunities for optimising the methanol synthesis system in terms of the impact of reactor size and/or recycle ratio on LCOMeOH. Economic viability of the CCU(S) processes is also found to be highly dependent on the cost of the feedstock BFG. Future cost savings as compared to business-as-usual steel production by 2030 in consideration of expected increases in the carbon price are estimated to be 10.59 £/tonne-steel for CCU and 24.61 £/tonne-steel for CCUS.

“Black mass”, namely, the mixture of anodic and cathodic materials arising from mechanical shredding of spent Li-ion batteries (LIBs), can be easily converted into an efficient heterogeneous catalyst for selective reductions. Here, we demonstrate a concept showing how LIBs, after appropriate thermal treatments, can be directly used as catalysts for the selective hydrogenation of biobased furfural and other biomass-derived aldehydes and ketones. Yet, the approach is general and can be applied to a variety of substrates under widely different conditions. The production of the new catalyst involves a simple calcination of the e-waste material followed by reduction with H2 at 500 °C. Complete conversion of furfural into furfuryl alcohol is achieved after 90 min at 120 °C under 10 bar H2 in 2-propanol. High furfural conversion can also be obtained under transfer hydrogenation conditions by using 2-propanol as a solvent/H-donor. The study opens the route to the use and recycle of spent LIBs as valued raw materials of precious catalytic materials suitable for use in fine chemical production.

This study details the development and validation of a new algorithm that determines the dominant habit plane of a transformed child phase from orientation maps of a single planar cross-section. The method describes the habit plane in terms of its five-parameter grain boundary character and couples it to the specific orientation relationship of the identified orientation variant. The symmetry operations associated with the specific orientation relationship of the variants are applied to transform habit plane traces as determined in the specimen-fixed reference frame into the parent or child reference frame, allowing for the fitting of the habit plane. Our algorithm stands out by its robustness, computational efficiency, automation and ability to operate on fully transformed microstructures. Four automated methods for habit plane trace determination are proposed and compared. Detailed sensitivity analysis reveals that the proposed algorithm is exceptionally robust against poor accuracy in the measured traces and distortions in the orientation map, but more sensitive to inaccuracies propagated from parent grain reconstruction. Validation on a synthetic microstructure with a known habit plane returned consistent results when applied to high and low carbon steels with different prior austenite grain sizes and orientation map resolutions. The habit planes were not significantly affected by the austenite grain sizes. The habit plane of the steel with 0.35 wt% C was close to (111)γ whereas the habit plane of steel with 0.71 wt% C was closer to (575)γ, in close agreement with previous work using two-surface stereological analysis and transmission electron microscopy-based trace analysis.

Basic property analysis is the most comprehensive evaluation of metallurgical characteristics of blast furnace injection fuel. In this study, the basic properties of 16 types of pyrolysis biomass char samples were comprehensively investigated; the results showed that components harmful to a blast furnace, such as the ash content and alkali metal content of Jiangsu Suzhou woodblock char (B3), Jiangsu Changzhou branch char (B8), Jiangsu Zhangjiagang bamboo char (B10), and Jiangsu Zhangjiagang coconut shell char (B12) in all of the biomass char samples, are lower and close to the level of blast furnace injection bituminous coal. The grindability, particle size distribution, and safety all met the requirements of the blast furnace. Among them, the ash melting characteristic temperature of B3, B8, Jiangsu Zhangjiagang rice husk char (B11), and Shanghai soil remediation agent (B16) was greater than 1250 °C, indicating that they are not easy to block the blast furnace raceway and spray guns. Most of the biomass char samples had good combustibility, and the burnout temperature was less than 700 °C. A self-developed blast furnace injection combustion simulation experimental device was used to simulate the combustion behavior of biomass char in the blast furnace raceway tuyere, and the burnout rates of 16 biomass chars were measured. The results showed that that the burnout rate is related to both the volatiles and fixed carbon and the influence of volatiles on the burnout rate is greater than that of fixed carbon. The burnout rates of B3 and B8 were 77.12 and 67.03%, respectively. Above all, B3 and B8 showed good properties, but the burnout rate of B3 was higher, so B3 had the feasibility of applying to blast furnace injection, which indicates that woodblock char has the potential to be used as blast furnace injection fuel.

Simulating the additive manufacturing process of Ti-6Al-4V is very complex due to the microstructural changes and allotropic transformation occurring during its thermomechanical processing. The α -phase with a hexagonal close pack structure is present in three different forms-Widmanstatten, grain boundary and Martensite. A metallurgical model that computes the formation and dissolution of each of these phases was used here. Furthermore, a physically based flow-stress model coupled with the metallurgical model was applied in the simulation of an additive manufacturing case using the directed energy-deposition method. The result from the metallurgical model explicitly affects the mechanical properties in the flow-stress model. Validation of the thermal and mechanical model was performed by comparing the simulation results with measurements available in the literature, which showed good agreement.

Six high temperature alloys have been exposed in N2/H2 environments at 900 °C. In order to study the efficacy of a chromia barrier layer against nitrogen ingress, experiments were performed in two environments having the same N2/H2 ratio but slightly different water content, chromia formation being spontaneous in one case only. The samples were evaluated by SEM/STEM/EDX, XRD, gravimetry and GD-OES. The presence of an external chromia scale reduced nitridation of the alloy by 50–95%. Furthermore, in the presence of a continuous alumina layer no nitridation of the alloy was detected.

The foundry industry is currently facing challenges to reduce the environmental impacts from application of fossil fuels. Replacing foundry coke with alternative renewable carbon sources can lead to significant decrease in fossil fuel consumption and fossil CO2 emission. The low bulk density, low energy density, low mechanical strength and the high reactivity of biocarbon materials are the main factors limiting their efficient implementation in a cupola furnace. The current study aimed at designing, optimizing and developing briquettes containing biocarbon, namely, biocarbon briquettes for an efficient use in cupola furnace. Laboratory hydraulic press with compaction pressure of about 160 MPa and stainless-steel moulds (Ø = 40 mm and 70 mm) were used for compaction. The density, heating value, energy density, mechanical strength and reactivity of biocarbon briquettes were measured and evaluated. The compressive strength and splitting tensile strength of biocarbon briquettes were measured by a compression device. The reactivity of biocarbon briquettes was measured under controlled conditions of temperature and gas atmosphere using the thermogravimetric analysis technique (TGA). Different types of binders were tested for the compaction of commercial charcoal fines with/without contribution of coke breeze. The effect of charcoal ratio, particle size, binder type, binder ratio, moisture content and compaction pressure on the quality of the biocarbon briquettes was investigated. Molasses with hydrated lime and cement were superior in enhancing the biocarbon briquettes strength and energy density among other tested binders and additives. The briquettes’ strength decreased as the biocarbon content increased. The optimum recipes consisted of 62% charcoal fines, 20% molasses, 10% hydrated lime and 8% cement. Cement is necessary to develop the tensile strength and hot mechanical strength of the briquettes. The charcoal with high ash content showed higher strength of briquettes but lower heating value compared to that with low ash content. Dispersion of silica suspension on charcoal particles during the mixing process was able to reduce the reactivity of biochar in the developed biocarbon briquettes. The biocarbon briquettes density and strength were increased by increasing the compaction pressure. Commercial powder hydrated lime was more effective in enhancing the briquettes’ strength compared to slaked burnt lime. Upscaling of biocarbon briquettes (Ø = 70 mm) and testing of hot mechanical strength under load indicated development of cracks which significantly reduced the strength of briquettes. Further development of biocarbon briquettes is needed to fulfil the requirements of a cupola furnace.

In the steel sector, sustainable management of by-products is a key challenge to preserve natural resources and achieve the zero waste goal. In this paper, the main trends of future research and development on reuse and recycling of by-products of the steel industry are presented in the form of a roadmap, which is the outcome of a dissemination project funded by the European Union based on the analysis of the most relevant and recent European projects concerning reuse and recycling of by-products from the steel production cycle. In particular, the developed roadmap highlights the most important topics of future research activities and challenges related to reuse and recycling of by-products from the existing or alternative steelmaking routes. A time horizon of 10 years has been considered, taking into account the European Commission targets to achieve carbon neutrality in a circular economy context. In addition, current technological trends derived from past and ongoing research projects are analysed. Research needs are based on the main categories of by-products and residual materials. Due to the different pathways to reduce CO2 emissions, each category is divided into subcategories considering both current and novel process routes targeting decarbonization of steel production. This work identifies the most urgent and demanding research directions for the coming years based on a survey targeting the steel companies, services providers of the steel industry and research organizations active in the field.

The heat capacity of ionic liquids is an important physical property, and experimental measuring is usually used as a common method to obtain them. Owing to the huge number of ionic liquids that can be potentially synthesized, it is desirable to acquire theoretical predictions. In this work, the Conductor-like Screening Model for Real Solvents (COSMO-RS) was used to predict the heat capacity of pure ionic liquids, and an intensive literature survey was conducted for providing a database to verify the prediction of COSMO-RS. The survey shows that the heat capacity is available for 117 ionic liquids at temperatures ranging 77.66–520 K since 2004, and the 4025 data points in total with the values from 76.37 to 1484 J·mol−1·K−1 have been reported. The prediction of heat capacity with COSMO-RS can only be conducted at two temperatures (298 and 323 K). The comparison with the experimental data proves the prediction reliability of COSMO-RS, and the average relative deviation (ARD) is 8.54%. Based on the predictions at two temperatures, a linear equation was obtained for each ionic liquid, and the heat capacities at other temperatures were then estimated via interpolation and extrapolation. The acquired heat capacities at other temperatures were then compared with the experimental data, and the ARD is only 9.50%. This evidences that the heat capacity of a pure ionic liquid follows a linear equation within the temperature range of study, and COSMO-RS can be used to predict the heat capacity of ionic liquids reliably.

Metal production, and especially iron ore-based steel production, is characterized by high fossil CO2 emissions due of the use of coal and coke in the blast furnace. Steel companies around the world are striving to reduce the CO2 emissions in different ways, e.g., by use of hydrogen in the blast furnace or by production of iron via direct reduction. To partially replace fossil coal and coke with climate neutral bio-coal products that are adapted for use in the metal industry, e.g., at the blast furnace, is a real and important opportunity to significantly lower the climate impact in a short-term perspective. Top-charging of bio-coal directly to the blast furnace is difficult due to its low strength but can be facilitated if bio-coal is added as an ingredient in coke or to the mix when producing residue briquettes. Bio-coal can also be injected into the lower part of the blast furnace and thereby replace a substantial part of the injected pulverized coal. Based on research work within Swerim, where the authors have been involved, this paper will describe the opportunities and limitations of using bio-coal as a replacement for fossil coal as part of coke, as a constituent in residue briquettes, or as replacement of part of the injected pulverized coal. Results from several projects studying these opportunities via technical scale, as well as pilot and industrial scale experiments and modelling will be presented.