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By G Sartor, A Rich, D Grimsey, R Forzatti, M White

An in-depth process model was developed for the pyrometallurgical, off-gas systems and water balance of the Kalgoorlie Nickel Smelter. This model was used to assess plant capacity with changing concentrate grades, increased throughput and tighter environmental emissions under a range of potential future operating conditions. Comparison of modelled results allowed for flow sheet optimisation across a range of metrics including sustainability, processing capacity and costs. Process modelling software, METSIM® (ver 2020.06 by METSIM International), was used to simulate the flash furnace, integrated electric slag cleaning furnace, Pierce-Smith converters, matte granulation, waste heat boiler, hot gas handling equipment, wet gas cleaning plant and acid plant. The METSIM® model was divided into three separate, yet interconnected models: metals, off-gas and water balancing. This allowed for improved modelling efficiency and traceability while minimising manual error. The METSIM® model was supported by inputs from other specialised software. Chemical thermodynamics software, FactSage™ (ver 8.2 by GTT Technologies), was used to establish relationships for the flash furnace fluxing strategy and determine the operating temperature. Arena® (ver 16.0 by Rockwell Automation), a discrete event modelling software, was used to simulate material movements within the aisle as well as Pierce-Smith converter operation, allowing for integration with upstream and downstream systems. A dynamic data exchange (DDE) was used to connect the results of each software package, interfacing through Excel® (version 4203 by Microsoft). The integration between models provided a streamlined approach to test capacity, bottlenecks, water consumption and emissions under a range of operating conditions, enabling a more robust process. Further downstream modelling techniques were used to assess mechanical equipment. METSIM® outputs provided key parameters for combustion assessments using computational fluid dynamics and finite element analysis for the furnace mechanical design.

Aug 21, 2024

By B Murphy, N Strong, J Albrecht

Rio Tinto’s Argyle Diamond Mine has a history of underperformance with delivery of ore from the underground operation to the surface for processing with no real clarity in sources of loss and value. In order to increase underground production performance, the basic concepts of the Theory of Constraints model were applied to the Argyle underground production system. This prompted a revised view on bottlenecks and contributors to value loss and ultimately leading to record breaking mine performance. System loss reporting to demonstrate the best opportunity to drive value, departmental detail to develop tools to identify improvement opportunities and clarity across the team to ensure alignment and clear lines of communication were critical to the project success.

Mar 15, 2021

By R Stimpson, B Johnson, B Hesse

During a period of twelve months between FY18-19, a series of trials were conducted to compare production drilling accuracy using two different methodologies, and the subsequent impact this had on stope performance (dilution and recovery). Testing was conducted at a series of underground mines in Australia. The drill rig’s existing alignment processes were compared to a new technology system, with the following observations: • The new technology was proven to limit rig alignment error, thereby reducing average blasthole deviation, resulting in an increase in the number of holes drilled within tolerance by up to 160%. • The increased accuracy reduced stope dilution significantly by reducing over-break of subgrade ore, whilst also increasing drilled meters (faster stope-cycle time), reducing the bridged tonnes ratio, and facilitating the capture of previously uneconomical stopes. A cost-benefit analysis extrapolated from each of the trials showed the extent to which the new technology, when applied to production data, reduced average dilution, increased ore recovery as well as general drill and blast productivity. In one such trial, the new technology was proven to have reduced average dilution by net 45.4%, which if applied to a full year’s production data, would result in AUD8.2M additional ore recovered, with AUD4.5M less spent on wasted cost of haulage and processing of diluted ore. As a result, return per tonne would increase 22%, from AUD87 to AUD106. This improvement was maintained over the following 12 months – reducing average dilution from 22% in FY17 to 12.1% in FY19.

Mar 15, 2021

By N Yarahmadi

Characterization of pore pressure is critical for appropriate design of tailings dams. Furthermore, if seepage rates through tailing embankments increase unexpectedly or become uncontrolled, undesirable conditions may prevail to progress piping or internal erosion that could lead to the dam’s instability or ultimate failure. A three-dimensional seepage analysis was performed on a tailings dam using finite element method to find the rate of seepage and pore water conditions in the embankment and foundation. The results were then compared to a conventional two-dimensional seepage analysis carried out on the typical cross section of the embankment and the field data acquired from the instrumentation system. Considering the monitoring data, comparison of seepage analyses results for the two and threedimensional models, showed that the results of the conventional two-dimensional seepage analysis are significantly underestimating reality. Relying on two-dimensional seepage analyses might result in underestimation of seepage rates and impact the safe operation of tailings dams. Similarly, unrealistic prediction of pore water pressure conditions, based on simplified seepage analyses, can lead to overestimation of the rate of strength gain of material and consequently safe embankment raising rates.

Jul 1, 2021

By X Yang

White phosphorus (P4) is a critical element in industry, but its current production from phosphate rock using the carbothermal reduction method raises significant environmental and health concerns. This pressing issue necessitates the development of new technologies that facilitate the sustainable production of P4. In response, my team is actively developing an innovative, coke-free approach for white phosphorus production. This method involves the dissolution of phosphate rock in molten CaCl2, followed by the extraction of P4 through electrochemistry at relatively low temperatures. Moreover, this approach has the potential to utilise phosphate-bearing solid wastes as raw materials, further enhancing its environmental benefits. By employing this cutting-edge technique, we aim to revolutionise the phosphorus chemical industry towards greener and more sustainable practices. This paper provides evidence of the feasibility and effectiveness of our proposed approach.

Aug 21, 2024

By A Whaanga, W Vigor-Brown

IGO Ltd’s (IGO’s) Nova-Bollinger Deposit (Nova-Bollinger) is a magmatic nickel-copper-cobalt (NiCu-Co) sulfide deposit found 160 km east-north-east of the town of Norseman in Western Australia (WA). The deposit is hosted by the Mesoproterozoic rocks of the Fraser Zone, which is part of the Albany Fraser Orogen (AFO). Since mining commenced in 2016, IGO’s Nova Operation (Nova) has mined and processed to 31 December 2020, 5.63 Mt of ore grading 2.04 per cent Ni, 0.86 per cent Cu and 0.07 per cent Co. Nova’s mine geology team (MGT) has used commercially available implicit modelling (IM) and general-purpose resource modelling (RM) industry software systems, to prepare the 31 December 2020 (CY20) update of Nova-Bollinger’s JORC Code reportable Mineral Resource estimate (MRE). This CY20 MRE update was predominantly based on ~386 km of diamond core drilling, with the drill holes having a nominal grid spacing of 12.5 by 12.5 m throughout the mineralised zones of the deposit. Using IM tools, Nova’s MGT interpreted and modelled 22 separate domains from the drill hole logging, assaying results, and the MGT’s underground mapping. These IM closed volumes were then used to control the estimation of MRE variables into conventional industry digital block models using RM and other ancillary software systems. During 2021, a commercial machine learning (ML) software was trialled by Nova’s MGT for preparing block models of Nova-Bollinger’s MRE domains. The motivation for the trial was that the ML process could expedite modelling through the direct creation of a domain coded block model from the drill hole logging. Compared to the industry standard approaches of wireframing or IM, where the modeller usually makes many subjective choices to produce the domain model, ML offers a more objective ‘hands-off’ process for determining the connectivity of domains defined in drill holes. Additionally, the ML process provides a quantitative confidence metric associated with its output that may have utility in mine production and resource classification. In this paper, the results of the Nova-Bollinger ML modelling trial are compared to the MGT’s current workflow for MRE work. The MGT’s conclusions as to the advantages and disadvantages of the IM and ML methods for preparation of MRE domains are discussed. The ML software was also tested as a method of rapidly interpreting geology outside the principal zones of MRE interest. These testing results are also presented in this paper.

Mar 22, 2022

By J Hartnett, B Tarrant, A Rayner, D O’Toole, P Davies

Since 2009, the Northern Territory and Australian governments have been working under a national partnership arrangement to inform a rehabilitation plan for the former Rum Jungle uranium mine. Part of the rehabilitation strategy is to backfill a flooded former pit (Pit), which extends down to 100m below the current pit lake surface and was historically partially backfilled with uranium tailings. It is proposed to utilise the remaining pit volume below water level to sub-aqueously store Potentially Acid Forming (PAF-I) waste rock which currently occupies large stockpiles across the site. The rehabilitation design and planning process undertaken to develop a strategy commensurate to project objectives and construction constraints involved the establishment of key constraints derived from the analysis of historic data sources and preliminary design efforts. Tabled strategies were balanced against dependent project tasks and project objectives, especially surrounding minimising disturbance of highly contaminated materials within the Pit. Ideas were developed in conjunction with industry input and review of case histories to develop a remediation solution that is constructible within the project timeframe and constraints.

Jul 1, 2021

By J F. Carswell, G Cheshire

The Pajingo gold operation in Queensland is approximately 55 km south of Charters Towers and 134 km south-west of Townsville. The gold deposit was discovered on the northern end of the Drummond Basin in 1983 and first open pit production began in 1986. Mining progressed underground in the 1990’s and gold production peaked in the early 2000’s as the main Vera/Nancy lodes were extracted, producing 330k oz in 2003 (a record at the time). More recently, as Ore Reserves and grade have diminished, the mine has had to develop innovative mining practices to maximise recovery of the remaining Mineral Resource. This has included a modified sublevel caving method against previously mined/backfilled zones. The method has been coined modified sublevel shrinkage (MSLS). Full scale trials of the new mining method have been successfully completed. This has allowed the site to revaluate the Mineral Resource and include areas into the Ore Reserve that were once deemed sterilised, adding significant value to the operation and extending its life-of-mine. This paper describes the first of two large scale MSLS trials and key operational learnings from it.

Mar 15, 2021

By R E. Gerald II, B Zhang, T Sander, J D. Smith, J Huang, R J. O’Malley, H Tekle

In the steelmaking process, mold fluxes are essential for ensuring thermal insulation, refining, and the efficiency of continuous casting. Real-time understanding of the in-service composition of slags and fluxes are crucial for optimising the steel production process and improving the quality of the final product. An in situ fibre-optic Raman probe that enables the study of the structure, composition, and viscosity of molten slags and fluxes at steelmaking temperatures has been developed and demonstrated both in the lab and in foundry scale experiments. The focus of this study is on the structural, compositional, and property analysis of molten fluxes in a laboratory setting, with the aim of applying this technology for in situ monitoring during industrial production. Raman spectra were successfully collected at various temperatures from 1000°C to 1400°C in real-time and analysed using a deconvolution algorithm to isolate and quantify peaks in the spectra associated with the specific structures of molecular components in molten and solidifying flux. The research successfully combines in situ Raman spectroscopy with high-temperature viscosity data, specifically targeting CaO-CaF-SiO2-Al2O3 based mould flux systems. Specified ratios of the deconvoluted Raman peaks, such as Al-O-Al/Si-O-Si ratio, shows good correlation with the flux chemistry, while the Q3/Q0 peak ratio shows good correlation with viscosity. A ruggedised Raman probe system was also developed and demonstrated in an 80 kg induction furnace. Ultimately, the goal of this work is to demonstrate in situ slag and mould flux analysis in industrial processes, such as in the continuous caster or electric arc furnace (EAF).

Aug 21, 2024

By C B. Smith, G L. Boxer, S W. Moss, A L. Jaques, V Lorenz, M J. Rayner

The Ernest Henry Iron Oxide Copper Gold deposit is hosted in a large dilation between two moderately dipping shear zones found in the footwall and hanging wall of the deposit. These shears are controlled by a large diorite intrusion to the north-east and south-west of the deposit, formed ~1660 Ma. A shear zone dubbed the ‘Interlens’ uncovered through underground workings truncates the main orebody into two lenses, and is hypothesized to have formed in conjunction with the Hanging Wall Shear Zone and Footwall Shear Zone. All three shears dip moderately to the SSE (50–140) from open cut exposures through to the current mining horizon approximately 800 m below the surface. Routine geological work and a capital drilling campaign has identified a significant flexure in these sub parallel ore bounding shears with increasing depth. A shift in shear orientation in the Interlens over approximately 100 m vertically from ~50° to the SSE to a steep, easterly trend (~85° to the east) is observed in both drill core and exposures in the underground workings. It is hypothesized the diorite intrusive to the south-west of the deposit controls the shear zone geometries at depth. The geometry of the Interlens mirrors the surface expression of the Proterozoic package of the orebounding shears to the south-west of the deposit, suggesting the surface geometries of the shear zones are consistent with depth. Additional drilling to explore the validity of this hypothesis is planned for the near future to better understand the structural controls on the Ernest Henry mineralisation with increasing depth.

Mar 22, 2022

By H Arvidson, A Walker, N Pollock

Following the recent tailings tragedy in Brumadinho, the Investor Mining and Tailings Safety Initiative was formed representing institutional investors in the mining industry. This Initiative, led by The Church of England (CoE), requested data from 726 mining companies on each of their Tailings Storage Facilities (TSFs). What this exercise confirmed was that there was no public database of TSFs, and that there was a clear gap in tailings management systems within the disclosing companies. We present an approach using technology to support best practice TSF management, governance and disclosure which was originally submitted as part of University of Cambridge Post-graduate studies in Sustainability Leadership in January 2020. The aim of the paper is to discuss how technology could be used to deliver a Tailings Management Solution (TMS) that is aligned with the Global Industry Standard on Tailings Management (GISTM), and supports rigorous governance leading to disclosure. Subsequently the goals of the plan are aligned with that of the co-conveners of the GISTM (the International Council on Mining and Metals (ICMM), Principles for Responsible Investment (PRI) and United Nations Environment Program (UNEP)) which is to facilitate operators’ trajectory towards zero harm to people and the environment. Most of the focus to date around tailings management post Brumadinho has been on monitoring technologies, of which there are many. It is obviously important to acknowledge the critical role of monitoring technologies; however, our approach is agnostic to monitoring technologies and assumes that all of them are relevant. Our focus is on the data management, reporting and governance leading to disclosure of the information. Critical components of developing the TMS include adapting existing software products and solutions, recognising a system thinking approach is needed, strategic partnerships to deliver an accessible solution faster and more cost effectively, and, new ways of collaborating. The TMS should also accommodate relevant regional geotechnical codes and standards. The industry need for a TMS is well established and urgent, with significant pressure from regulators and civil society for the industry to address this significant issue.

Jul 1, 2021

By P C. J Blackney, I M. Glacken

Spotted Quoll is a massive sulfide nickel deposit located in the Forrestania greenstone belt in the Archaean Yilgarn block in Western Australia. Discovered in October 2007, mining has progressed from open pit to underground and currently uses longhole open stoping with paste fill as the primary stoping method. Immediately prior to 2019, the Mineral Resource estimate (MRE) was defined by a single grade domain of nickel greater than or equal to 0.8 per cent, irrespective of the host lithology, a legacy of the original ore wireframe being built using explicit methods. While a number of obvious structural offsets were honoured in this nickel grade domain, only one modelled fault was used to undertake domaining of arsenic. From 2019 onwards, implicit modelling in Leapfrog Geo™ was used to construct a mine-scale geological model, which triggered the definition of a high-grade core of massive/matrix nickel sulfides surrounded by a low-grade halo of stringer/disseminated nickel sulfides in the surrounding rock. As part of the evolution of the geological model and with the aid of Seequent Central™ to allow collaboration between site-based mine geologists, Perth-based resource geologists and Melbourne-based consultants, a detailed review of the structural mapping was carried out as additional information from underground development became available. This allowed numerous faults and shears to be identified – particularly in the lower half of the mine. These were used to define further structural domains and to refine the understanding of the nickel and arsenic grade distributions in the mineralised envelope. The increased definition to the domains provided by the geological model resulted in a significant improvement in the accuracy of the Mineral Resource estimate, as measured by reconciliation using voids of the mined stopes determined from the cavity monitoring survey (CMS).

Mar 22, 2022

By D Woolmer

Since January 2019, BHP Olympic Dam have been trialling the use of a drone based LiDAR mapping system for the purpose for surveying stope voids. This new technology utilises Simultaneous Location and Mapping (SLAM) algorithm providing positioning, stability and collision avoidance in GPS denied environments. Implementation of this system utilised underground personnel trained in the equipment’s use. The study’s intention was to evaluate the effectiveness of this equipment versus traditional surveying methods in regards to quality, safety and productivity. The trial results showed a marked improvement in the quality, productivity and personnel safety when conducting surveys. The use of the drone and LiDAR system reduced personnel and equipment requirements for surveys, thus allowing these resources to be deployed elsewhere. The technology’s simple and rapid deployment allowed multiple surveys to be conducted during a 12 hour shift, including ad-hoc work with minimal disruption to underground operations. After the drone’s initial trial, further work was conducted to utilise the Hovermap LiDAR scanner on other platforms to increase utilisation. A mounting system was created allowing the LiDAR to be mounted on a remotely operated loader or vehicle. This enabled drawpoint scans to be taken directly after production completion, resulting in faster stope close outs and drive scans for convergence monitoring. Implementation of the LiDAR system has resulted in improvements in the stope production cycle by reducing delays previously associated with data capture. The increase in the volume and quality of data has also allowed in-depth back-analysis of stopes in new mining areas to be conducted, which have driven improvements in the design process.

Mar 15, 2021

By A Litwinowicz, M Laxman, A Fourie, A L. Li

This paper presents a design approach and analytical methods that were used for assessing the potential of static liquefaction and developing the mitigation measures for a tailings dams. The rigour of the design and analysis approach represented leading practise in the industry to address static liquefaction, which contributed to a robust design with high confidence and certainty. The salient features of our approach to static liquefaction included geotechnical investigation and tailings characterisation, static liquefaction screening assessment, static liquefaction triggering analysis, limit equilibrium analyses and numerical modelling of static liquefaction using the NorSand model, which was amongst the first tailings dam projects involving numerical modelling of static liquefaction using these methods.

Jul 1, 2021

By P Micale

Geological data provides the foundations for the mining value chain. It is used to underpin the modelling and planning and consequently optimise downstream business decisions. However, it is often forgotten or taken for granted. End users often assume the data to be sound without verification. Geological data can be considered a company’s number one asset. Subsequently, the storage, use and management of this data need careful curation and time invested in preserving and protecting it. An established polymetallic mine with 20 000 drill holes could have a data replacement value in excess of $500M at 2020 prices, excluding labour and salary costs. The Australasian Code for Reporting of Exploration Results, Mineral Resources and Ore Reserves (the ‘JORC Code’) provides guidelines for Public Reporting. Within the code, Table 1 requires discussion around the different types of geological data, its collection and use. What is needed is additional details regarding the validation and integrity of the geological database. A comprehensive guideline specifying minimum geological standards for geological databases has been developed. This expands on the critical points outlined in Table 1 of the JORC Code. This guideline can be used by companies where geological databases are managed in-house or used to assess these services’ outsourcing. This guideline will ensure that geological data is reliable and unadulterated and can be used with confidence. Using this guideline will assist in preserving the investment of geological data in the mining value chain

Mar 22, 2022

By R Atmuri, W Liang, R Prasad, Y Liu, E Wingate

Yellow phosphorus (YP) has been commercially produced since the 1920s. First in the USA by the Tennessee Valley Authority (TVA), next in Russian (Kazakhstan) in the 1950s, and finally in China in the late 1970s and early 1980s. There are operations in Vietnam and Sarawak on a smaller scale. YP has become very in vogue due to its use in the production of lithium iron phosphate battery cathode precursor materials by the Chinese and other western battery manufacturers. The YP is also used to produce purified phosphoric acid and higher grades of acid using a thermal oxidation process after smelting. This paper will look at the basics of the smelting including slag chemistry, alloy chemistry and offgas chemistry. The paper will look at the design of the furnaces used in the YP production process as well as the downstream recovery of phosphorus from the smelter off-gas stream to YP. The next part of the discussion will focus on the operations of a YP smelter with regards to control of the furnace to optimise phosphorus recovery to YP. Will discuss tapping cycles for alloy and slag with a view to optimal phosphorus recovery. The discussion will close out with a review of operational challenges in the smelter and a brief description of the downstream conversion of YP to high purity phosphoric acid.

Aug 21, 2024

By R Hargreaves, T Elkington, W J. Shaw, G W. Booth

Every day, around the world, thousands of tons of ore are loaded onto ships completing the miningproduction process and starting a multimillion-dollar economic transactions process. These transactions are based on the supply of tons of a commodity with certain specifications of assays of the main element (or physical properties) and concentration of contaminants, which are finally verified and evaluated by buyers, and also are considered ‘as true’ during Reconciliation process. On Sample Stations, this ‘true’ is based on a few kilograms of sample, often representing thousands of tons, that are sent to laboratories for further sample preparation and chemical analysis, where finally assay information is obtained from a few grams of pulverised sample, and are used for further production, planning, operational and financial-marketing decisions. Different International Standards (depending on the commodity) are used to establish the methodology to be followed, to set-up and obtain samples from the Sample Stations, and the specifications are visually inspected to give an estimation on the performance of the sampling point. This paper seeks to highlight with examples, the importance of the implementation of a continuously monitored Quality Program (QAQC and QM) on Sample Stations, focused on the parameters that directly affect the quality and representativeness of the samples. By this implementation, a proactive approach and better-informed decisions can be taken for mining companies to: a) quantify/improve production and reconciliation results, and b) to supply the right specifications of shipped ore, increasing the value of the Resources. Finally, laboratory results are normally used as an indication of the quality of the information applied for the economic transaction, but it should be considered, clarified and highlighted that the laboratory will only process and analyse a sample obtained from a Sample Station, and potential problems on bias or precision may occur in stages prior to the laboratory reception. Hence the importance of the implementation of a quality assurance program that protects multi-million dollar decisions.

Mar 22, 2022

By M-A Van Ende, N Kumar, I-H Jung

In order to utilise the powerful thermodynamic databases for process simulations, a concept called Effective Equilibrium Reaction Zone (EERZ) was introduced to couple thermodynamic database calculations and reaction kinetics. Using the EERZ concept, many process simulation models for steelmaking processes have been developed within the FactSage steelmaking consortium. After validation of the simulation results by comparing with plant data, the simulation models have been applied to improve plant operations. Several success stories of the improvement of real steelmaking operations are shared. A new user-friendly FactProSim software developed for building process simulations is introduced.

Aug 21, 2024

By P Viljoen, A Holland, C Parken

In the raisebore industry, there are two known methods of removing large diameter reamer heads once the reaming of an underground shaft is complete: 1. Lower the reamer head to the base of the shaft and use a thermal lance to cut the drill string and drag the reamer away from the hole. This method exposes the person doing the job to falling rocks from the unsupported mineshaft, a hazard which is difficult to control and has caused fatalities. 2. Install breast plates in the backs above the reamer head at the top of the hole, and use air hoists to lift the reamer out of the hole. Steel beams are then placed across the hole which the reamer is lowered down onto, dragged forward away from the hole, disassembled, and removed. This method is time consuming, expensive, and complex in the controls required to ensure safe completion of the job At Carrapateena, the air hoist method had been successfully used, however, with the cost involved and the complexity of this process, development of an improved and fit for purpose reamer removal method was pursued. OZ Minerals collaborated with Pybar to develop an industry first application of Enerpac SL100 lift and shift technology; a track mounted system with hydraulic lifting units that can both lift the reamer out of the hole and tram it back along the tracks away from the hole. A key component of turning the idea into a reality was by establishing a truly collaborative relationship between client and contractor. When the SL100 mobile gantry arrived, it was set up in Adelaide and trialled with the whole raise bore crew attending the two-day workshop and risk assessment; a rare opportunity for drillers. There have now been five successful reamer removals with the SL100 mobile gantry at Carrapateena. It has proven to be an efficient process with the entire process from setup to demobilisation taking less than 48 hours. This new way has completely removed hot works and uncontrolled hazards from working at the bottom of a shaft. It has also saved the reamer stabiliser from being cut and thus wasted. Exposure to the open hole has been minimised significantly as assembly of the SL100 is completed well forward of the open hole. This new process is exponentially safer, quicker and cheaper.

Mar 15, 2021

By M Zhu, J Safarian

Understanding the slag composition-structure-property relationship remains challenging due to the amorphous nature of slag melts and the difficulty of high-temperature experimental investigations. Since the CaO-Al2O3-SiO2 slag system is maybe the most important slag system for various hightemperature metallurgical process, the present research employed high-throughput molecular dynamics (MD) simulations on the entire composition region of the CaO-Al2O3-SiO2 slag system to determine physical properties like molar volume, density and diffusivity, structural properties such as distribution of different oxygen types for each simulated slag melt. The obtained slag properties result from the simulations displayed good consistency with experimental data, underscoring the reliability of the MD simulation as a novel tool to predict reasonable slag properties and to study slag behaviour from atomistic insight. The simulated results demonstrate a near-linear relationship between molar volume changes and composition, highlighting the predominant role of oxygen atoms, which is attributed to the significantly larger size of oxygen compared to other cations in the slag melts. This disparity in size leads to oxygen ions occupying most of the space in slags, thereby playing a major role in determining the overall molar volume. The simulation results of slag density revealed a decreasing trend with increased SiO2 content and identified a local minimum at constant SiO2 when Al2O3 content increases, also consistent with established slag density models. Furthermore, the simulated oxygen self-diffusion coefficients reveal a strong composition-structureproperty relationship, where an increase in CaO content enhances slag diffusivity, while a minimum in diffusivity is observed near a CaO/Al2O3 ratio of unity. The diffusivity minimum also corresponding to the local viscosity maxima, indicating effective simulation of charge compensation effects and dynamic characteristics of slag melts. The simulated distribution of oxygen types in slag — bridging oxygen (BOs), non-bridging oxygen (NBOs), free oxygen (FOs) and tricluster oxygen (TOs) — reveals a composition-dependent pattern: BOs peak near CaO/Al2O3 = 1, NBOs and FOs are abundant in CaO-rich areas with NBOs peaking near the Ca3SiO5 composition, FOs in the CaO corner, and TOs predominantly in the Al2O3 corner, highlighting the complex interplay of network formers and modifiers for the charge compensation effects on the slag’s structural properties. The successful application of MD simulations in this study paves the way for a powerful approach to explore the complex relationships in multicomponent slag systems and bridges the gap between mathematics modelling and experimental observations in high-temperature metallurgical processes.

Aug 21, 2024