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By P J. Bangerter, G D. Corder

With the societal desire and drive towards low carbon energy sources, there is a growing awareness of the important role that minerals and metals will play with renewable energy technologies. Copper is an essential metal for technologies that generate energy from renewable sources, in particular for wind and solar photovoltaic energy systems. A recent report (Arrobas et al., 2017) estimated that the median increase in copper demand through to 2050 for wind technologies and for solar photovoltaics would need to be 250% and 300% respectively to meet the goal of a 2°C global temperature increase scenario compared with a 6°C global increase, which is largely an extension of current trends (IEA, 2018). The aim of this extended abstract is to demonstrate with the necessary increase in copper production for renewable energy technologies that sound sustainability performance across the global copper value chain is to the benefit of government, society and industry.CITATION:Corder, G D and Bangerter, P J, 2018. Balancing the benefits and impacts of future copper demand – climate change and arsenic, in Proceedings Life-of-Mine 2018, pp 17–19 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Jul 25, 2018

By R Bourcier, T Rafferty

Following an underground coal mine explosion, it is important that ventilation is quickly restored to ventilate the mine and affect a mine rescue. To achieve this, surface ventilation fans must be suitably protected from explosion damage, but still able to be quickly restored.A review of all Australian coal mine regulations was carried out, revealing that Australia has no prescriptive regulations that specify the design of explosion relief panels and the protection of ventilation fans in the event of an underground explosion.To better define the level of protection required, this paper reviews and extracts details from relevant major international regulations and standards on the subject.A suitable design methodology for the protection of ventilation fans is presented that could be applied in Australia, using a combination of explosion relief panels, appropriate isolation of the fan, and ventilation shaft/mine design.CITATION:Rafferty, T and Bourcier, R, 2013. The protection of surface ventilation fan installations from underground explosions, in Proceedings The Australian Mine Ventilation Conference , pp 169-173 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Jul 1, 2013

By Corbett GJ, Leach TM

ABSTRAC'T' Although hosted within an Ordovician magmatic arc, the Peak Hill high sulphidation system displays features typical of younger Pacific Rim high sulphidation epithermal gold deposits. Regional NW trending transfer structures are inferred to localise the magmatic source at their intersection of the NS trending arc. Fluids have migrated from the magmatic source along NW structures and thence exploited permeable horizons, which have become silicified. Alteration displays typical zonation from silicification through assemblages characterised by alunite, pyrophyllite and kaolinite and is followed by breccia/fracture controlled sulphide and gold deposition. Sinistral rotation on the NS arc has dilated NW trending fractures to produce the WNW to EW dilational fractures which host the higher grade ore. Mineral assemblages are typical of formation distal to the magmatic source in an epithermal environment. The combination of alteration and mineralisation zonation with structure provide fluid vectors which target a magmatic source to the SE of Peak Hill.

Jan 1, 1995

Underground measurements, observations and computed simulations, started a long time ago were concerning the study of : - occurence of typical rockburst, - inducing, stretching of main fractures in the roof of caved longwalls. They made obvious a foundamental phenomenon of inducing of strata fractures involving contact be- tween two layers quite different in their elastic characteristics : coalseam and rocklayer.. The start of primary cracks in maximum abutment zone takes place in the rock near the contact surface. It is opening of crevasses induced by traction stress component resulting of difference of rigidity of both materials and no sliding on in- terface. Occurence and stretching of these crevas- ses are a rheological phenomenon so that the rate of advance and stops of the face influence the distance between the crevasses and the stretching of these ones. The characteristics of these cracks in space and time affect mining conditions. So it is for fractures proximity and expan- sion inducing eventual blocks formation in longwall roofs in front of faces, for depth and delay of road- ways ribsides fracturing, inducing some rockbursts. In longwalls roofs, cracks initiated in front of a face can be either quite close or quite distant each from the other one, according to the depth of crushed coal in front of the face, which af- fects also extension of the cracks.

Jan 1, 1988

By Holcombe R. J, Dobos S. K, Little T. R

Blue amphibole-bearing rocks in the North D'aguilar Block of southeast Queensland occur either as relict pods and lenses within regionally extensive greenschist facies phyllites and schists or as blocks entrained in serpentinite-matrix melange. Epidote + crossite-bearing varieties predominate and formed under conditions consistent with underplating and high P:T metamorphism in a subduction-related tectonic environment. Neither lawsonite nor jadeite has been observed and metamorphic conditions are estimated at 380-4500C for pressures of 0.5-0.8 GPa. High P:T metamorphism occurred during the earliest stages of deformation and was superimposed upon protoliths of inferred Late Devonian - Early Carboniferous age, including mafic volcanics, tuffs and coarse volcaniclastic breccias as well as pelagic and henipelagic sediments, all of which have undergone varying degrees of over-printing to the greenschist facies. Greenschist facies metamorphism occurred during the second phase of deformation and was associated with the formation of mainly flat-lying or subhorizontal structures; it followed the cessation of subduction and occurred in response to either thermal relaxation during uplift or the imposition of regional heating induced by crustal thickening and/or synkinanatic granite emplacement. Uplift and cooling of the high P:T rocks was completed by 260-265 Ma and may have occurred in response to the same extensional processes which gave rise to the onset of rifting in the adjacent Esk Trough.

Jan 1, 1990

By J A. Meadows, M G. Annandale, G Castelain

Bauxite mining on Cape York Peninsula (CYP) commenced in the early 1960s in the region surrounding the town of Weipa. Rio Tinto Alcan (RTA) operates its bauxite mines on the homelands of 11 Indigenous Traditional Owner groups. The mining activity currently operates under three Aboriginal Agreements including an Indigenous Land Use Agreement – the Western Cape Communities Coexistence Agreement (WCCCA) – which provides RTA with access to the land in return for a range of benefits to the Traditional Owners, including employment, training, royalty payments and future relinquishment of the land (Klimenko and Evans, 2009). Despite reports of some ‘good progress’ in meeting the terms of the WCCCA (Klimenko and Evans, 2009, p 5), many of the region’s Traditional Owners remain dissatisfied. Two key areas of Indigenous community concern are the current premining management practices and the outcomes of post-mining landscape rehabilitation efforts.CITATION:Annandale, M G, Castelain, G and Meadows, J A, 2016. Sustainable mining – indigenous community benefit, in Proceedings Life-of-Mine 2016 Conference, pp 173–175 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Jun 28, 2016

By M S. Tuohy

Poorly judged or under-appreciated change plays a role in many major accidents. In particular, operational changes related to continuous improvement, maintenance and introduction of new technology can lead to unintended safety (and other) consequences. This paper provides an overview of the role of management of change in preventing unwanted impacts on safety, community relationships and the environment. It draws on a range of incidents covering mining, minerals processing, refining and smelting where inadequately assessed or ineffectively implemented change led to significant safety, environmental or community consequences. The paper will also highlight cases of well-managed complex change and the underlying model of decision-making in place to make those decisions. All these examples are drawn from Atturra’s experience in response to accidents or working with sites to improve their management systems. The paper will report on the challenges of applying conventional risk assessment approaches to complex or technically significant change. These typically result in either onerous and lengthy change procedures that are prone to workarounds or poor implementation. Conversely, ‘light touch’ or efficiency driven change processes present the risk of intended consequences by failing to bring appropriate expertise to bear in decision-making. Such balances can be resolved by considering the designation of ‘technical authority’ with appropriate expertise to consider the change and deconflict any production, cost or schedule trade-offs. Finally, the paper will reflect on the key components of management of change systems in the context of major accidents, highlighting good practice in how they are implemented. This will consider the integration of existing corporate processes, risk management and organisational structures into management of change systems, not just the content of change forms and procedures.

Apr 16, 2024

By A L. de Ambrosis, S J. Clarke

In the non-codified realm of tunnel design there are issues which are sure-fire instigators of controversy. This paper presents a discussion regarding one particular issue which in the authors’ experience often results in comment and debate. This issue only forms part of the rock load assessment process, but it is specifically addressed with the intention of presenting a rational basis for design, which may result in broader acceptance within the tunnel design community.The issue considered relates to the characterisation of in situ rock stresses for the design of tunnel support in the Sydney Basin. A summary is given of the literature on the topic, with emphasis on the main sources of uncertainty and contention. A design approach is proposed, with particular focus given to the numerical modelling of in situ ground stresses and the approach used to ensure that the adopted stress regime is consistent with the assumed ground model. The resulting variability in the initial stress field is discussed and comparisons made to the test database.CITATION:de Ambrosis, A L and Clarke, S J, 2014. Characterisation of in situ stresses for tunnel lining design in the Sydney?Basin, in Proceedings 15th Australasian Tunnelling Conference 2014 , pp 247–252 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Sep 17, 2014

By M Rafty, C Lane

Managing water is a key aspect of mining, whether a site is in water surplus or water deficit. Water in tailings storage facilities (TSFs) needs to be managed carefully to maximise the density of the solids, maximise the re-use of available water and to minimise the risk of water overtopping the spillway in the event of heavy rainfall. Developing a water balance models is a standard method for monitoring the major flows of water around a site. However, models created by specialist consultants are often overly complex and are not suited to being used by process plant personnel after they have been handed over to the mine operator. Models typically offer information on water management at the time that they are created, but then ‘sit on the shelf’ and offer no further insight or value for operating mines. Advisian has developed a customised water balance model for a mine in Sub-Saharan Africa, which can be adapted to other locations, to assist in managing water at the site and in particular to predict the current and future water level and volume in the TSF under various rainfall scenarios. The model was developed using Microsoft Excel and requires no specialist skills to operate. Site personnel enter in daily production, water transfer and rainfall data and then view the output dashboards to observe the current water level and volume, decant rates, licensed water abstraction and water supply versus demand. The output dashboards were developed in close consultation with the client to ensure that all of the relevant key performance indicators were included, from the perspectives of all the key stakeholders. This modelling approach focusses on the needs of the people who will actually use the model to actively manage TSFs with the need to involve the model developer as part of ongoing operations eliminated. The simplicity of this approach is now being embraced by other mine sites in Africa and Australia. CITATION:Rafty, M and Lane, C, 2018. Water balance management 101, in Proceedings Mine Waste and Tailings Stewardship Conference 2018, pp 485–490 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Jul 23, 2018

By J Ashford, Minniakhmetov

Geostatistical simulations are the best practice for uncertainty quantification in non-linear systems. Simulations are currently undertaken on an ad hoc basis in the mining industry due to high requirements in computing environments and advanced geostatistics. In contrast to the estimation process, multivariate simulations can be performed using different methods, tools, and computational environments, similar to data science. For large companies with multiple commodities it is important to have a standard framework to test, build, and run workflows using different methods, applications and computational environments. This work presents an auditable, modular and scalable framework to create geostatistical simulation workflows where the workflow is abstracted from the implementation. Key aspects: automation – workflows should be able to run automatically given updated data (if hands on modelling is not required); auditability – workflows should document key considerations and parameters; modularisation – workflows should permit swapping out components, for example substituting domaining in Leapfrog software with automated domaining using machine learning scripts; scalability – easy, repeatable, portable deployments on diverse infrastructure (for example, experimenting on a laptop, then moving to an on premise cluster or to the Cloud); reproducibility – parameters should be archived to permit re-running and reproduction of workflows in future years; and sensitivity analysis – any component of a workflow should be able to run with multiple scenarios of parameters and data to enable global uncertainty quantification and sensitivity analysis. The presented framework can be used to create different workflows for geostatistical simulations in multiple assets to quantify uncertainty in the value chain for resource categorisation, reserves uncertainty, value of information and robust mine planning amongst others.

Mar 22, 2022

By Langham B. M

A chemical study of the petrographic components of Greta (Maitland) coal, carried out by the Metropolitan Gas Co. (Melbourne), has revealed an anomaly in the composition of the durain which was thought to warrant petrological investigation.The original study, by the Metropolitan Gas Co., extended over eight shipments of coal received during the winter of 1943.The percentages of the several petrographic components were eslimated by careful handpicking of large samples of each shipment, and analyses were made of the handpicked components, which were also tested as to their gas-making and coking properties.The results are summarised in Tables 1 and 2. At first sight the components of the Greta coal bear a general resemblance in composition to those of other bituminous coals of similar rank, apart from a notable richness in volatiles, which is a distinctive feature of Greta coal. The durain has a typically higher ash content, and lower volatile content than the clarain (Table 1); and the coking behaviour of the four components is typical (Fig. 4).When, however, the analyses of Table 1 are re-calculated on a dry, ash-free basis, an anomaly appears: the clarain and the durain, on this 'pure coal' basis, have practically identical compositions, with the durain containing a slightly higher proportion of volatiles than the clarain (cf. Table 3); but the tar yield of these two components is very different (Table 1). Re-calculated on a dry, ash-free basis, the yield from the clarain is 18.9 gallons of tar per ton, while, that of the durain is 29.0 gallons per ton. The gas derived from the durain is correspondingly richer in illuminants (CH etc) and poorer in hydrogen than that from the clarain (Table 2), and is also notably richer in nitrogen.That the composition of the Greta durain is consistent is proved by the analyses of Table 3, in which the compositions of the respective durains and clarains of eight separate shipments of coal are compared. In most bituminous coals, the durain contains several per cent less volatile matter than the associated clarain, and high volatile content in a durain usually indicates a durain rich in spores.

Jan 1, 1947

By A Vakili

Dilution is associated with considerable direct and indirect costs in underground open stoping operations. As shown in previous works, an improved ability to predict dilution enables the economic risks associated with unplanned dilution to be reduced. Depending on the width of the orebody and depth of mining, the economic performance of an open stoping operation can become even more sensitive to dilution. It is shown in several well-documented studies that as little as 1 per cent of additional dilution can impose millions of dollars of lost profits per annum. Optimisation of a stoping operation is therefore largely dependent on the ability of the operation to minimise dilution. This can only be achieved through sensible analysis of past and future performance of mined stopes using the most appropriate recent available technologies and tools. This article presents a new design process that utilises advanced geotechnical numerical modelling and various other analytical tools to assist with a more robust mine design of open stoping operations. The focus of this design process is on geotechnical factors affecting dilution during the life-of-mine. A recent application of this optimisation method for a mining operation is presented in this paper as a case study. Through the application of this method and various other operational improvements, the mine was able to deliver more consistent production and lower operating costs over its life-ofmine outlook and was able to reduce dilution by up to 50 per cent and achieve sustainable record high production rates.

Mar 29, 2023

By M Hawkes, Z Ji Gang, Z Ming, R Hassell

As underground mines become more geotechnically challenging with increasing depth and excavation size, the requirement for ground support to be installed as per design becomes more critical. The verification of installation quality for cable bolts and grouted rock bolts is difficult to assess. Current methods to control quality have limitations; pull testing is largely inconclusive with only extremely poor installation being identifiable. Audits during installation can only capture a small percentage of installed bolts. Following large rock mass displacement from either squeezing ground or seismic events, even previously well installed bolts may have yielded and require replacement. A method to provide an improved understanding of the reinforcement installation quality is Non- Destructive Testing (NDT) using acoustic reflection. To validate the accuracy of an NDT system, both plain and bulbed strand cable bolts were grouted in clear plastic tubes. The encapsulation grout quality was deliberately varied from full encapsulation through to partial encapsulation and a range of different size voids. The clear tubes allowed the ground encapsulation to be observed. Cable bolts strands were cut at varying lengths and different water cement grout ratios were used. Acoustic testing of the cable bolt specimens was completed blind; the technicians were not aware of what was being tested. The NDT results correlated well with the grout encapsulation, with differences between full encapsulation, minor voids and major voids being determined. The different water cement ratio and bolt lengths (including when partially cut) were also identifiable but with some discrepancies. Trials of the technology underground have also shown the data collection process to be relatively quick with each bolt taking 1-2 minutes to test, with interpretation of the results able to be completed soon after. The NDT results collected from the underground trial showed a wide variance in cable bolt grout encapsulation quality indicating that there were installation issues.

Mar 15, 2021

By G R. Ballantyne, G Lane

Dry milling circuits that include high pressure grinding rolls (HPGR) or vertical roller mills (VRM) and air classification have replaced dry ball milling in cement production, but how do they compare to wet milling and classification circuits in mineral processing plants? Two case studies are presented that compare the energy efficiency, wear, liberation and capital cost of dry and wet milling circuits. In both case studies the VRM and HPGR consume half the energy of a wet tumbling mill for the same duty. However, the dry classification system tends to significantly erode the energy benefits. A number of improvement opportunities are presented that have the potential to improve the energy and capital efficiency of dry milling circuits. These improvement opportunities focus on the dry classification system that consumes significant energy in heating and fan power requirements and requires a large proportion of the footprint.

Aug 24, 2022

By N Clarke, J Hunt, A Barros, N Guerrero, L Keeney

Grade Engineering® (GE) involves a range of integrated technologies and operating protocols for improving effective feed grade through early rejection of low value material prior to costly processing activities and has the potential to transform the economics of large, low grade, mining operations. Extensive GE test work by AngloGold Ashanti (AGA) and the Cooperative Resource Centre for Optimising Resource Extraction (CRCORE) determined that the Gramalote gold deposit in Colombia is highly amenable to implementation of grade-by-size screening to upgrade the ore at a production scale. To understand the relationships between geology and the upgrade response drill core and bulk samples were analysed at the Centre for Ore Deposit and Earth Sciences (CODES) as part of a larger CRCORE project to understand geological controls on grade-by-size deportment, i.e., the tendency for specific mineral phases to preferentially fractionate during breakage into different size fractions. This work is focussed on understanding the role of mineralogy and texture in influencing rock breakage and natural fractionation at a range of scales. Detailed logging of Gramalote drill core and mineralogical analyses including hyperspectral logging, portable and bench-scale X-ray fluorescence (XRF), plus low resolution Laser Ablation of intact drill core pieces, combined with data from site (drill logs, geochemistry, petrophysics) were used to evaluate the ore and alteration mineralogy, vein paragenesis and textural variability. This provided information on gold deportment and allowed the identification of favourable host veins. Bulk sample material from different ore grade zones was also analysed. A comparison with the results of GE testing shows that positive upgrade results are produced by rocks with abundant veins, particularly those associated with potassic and/or white mica alteration. This work indicates upgrade response can be predicted from drill core using data collected by a combination of automated systems including hyperspectral data, XRF, and detailed drill core logging.

Nov 10, 2020

By J Krnmmelbein, T Raab

In Lusatia, lignite mining causes major disturbances on the landscape scale. Reclamation procedures are applied to recover the reconstructed landscape for different land use options. In this study we investigate soil physical properties of an agricultural reclamation/recultivation site directly after site restoration and the development of selected parameters within the first years after site restoration depending on varying recultivation strategies.The sandy substrates used for recultivation stem from depths of several meters. They are unstructured, free of recent organic matter and have high contents of calcium carbonate. During reconstruction and most of all during surface levelling with heavy crawlers, the substrate?undergoes high mechanical stresses. This leads to partly severe soil or substrate compaction, depending amongst others on substrate water content and mechanical stresses during site construction. We investigate the effect of different organic soil amendments, different crop rotations and partly subsoiling on the development of soil structure. We compare results of laboratory measurements directly after site construction before any reclamation measures had been applied to results we gained after three and four years of recultivation. The results show that after the earthworks are completed, the site is strongly heterogeneous in relation to mechanical stability, permeability for air and water, pore volume and bulk density. The results after three and four years show that the heterogeneity of soil physical parameters decreases. The selection of suitable crop rotations superimposes the affects of other reclamation measures, eg varying organic fertilisers or deep loosening.CITATION:Krnmmelbein, J and Raab, T, 2012. Reclaimed lignite mining areas A73 in Lusatia - Development of soil physical parameters of an agricultural site within the first years after site reconstruction, in Proceedings Life-of-Mine 2012 , pp 117-122 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Jul 10, 2012

By K Kuganathan, Y Potvin

Enterprise Mine at Mount Isa is to expand ore production from the current 1.4 to 3.5 mtpa by mining the 3500 Orebody, from which production is scheduled to start in February 1998 making this the deepest underground mine in Australia with its lowest mining horizon at nearly 1.6 km below surface. The following fill requirements were defined for the 3500 Orebody during the feasibility study: a minimum filling rate of 250 m3/h, a curing time of 28 days, and minimum free fill water. This paper mainly describes the investigation of high density and paste fills for the 3500 Orebody. The investigation covered all the key issues relating to fill option selection, including design criteria, material supply and demand assessment, drainage modelling, tailing dewatering method, mix design and a pump loop test. Results of the investigation indicate that both high density fill and paste fill are technically feasible. The investigation has led to the selection of a blended tailing paste for the 3500 Orebody as the paste option has significant advantages over high density fill in stope filling rates and fill reticulation. The blended tailing for paste fill is finer than Isa deslimed tailing but coarser than full plant tailing. The paste fill selected has minimum binder and tailing dewatering requirements while a relatively high filling rate is achieved.

Jan 1, 1998

By M Tsai

Tube bundle gas monitoring systems have been used in the mining industry for over 50 years. The initial design was based on four individual gas analysers along with a series of solenoid valves, gas sample conditioning and flow control mechanisms to ensure the correct gas flow stream volume to the analyser. Simtars staff have identified flow control issues when providing operational support to coalmines on numerous occasions. The accuracy of the oxygen analysis is dependent on control of the gas flow to the analyser. Oxygen is one of the parameters used in calculating Graham’s ratio which is used for the detection of spontaneous combustion activity in coalmines. This paper will provide data which identifies the flow control issues by comparing mine site records for the two surface sample lines in the analyser room and the gas cage. Mine sites will be deidentified within the paper. The paper will discuss some of the changes that have been made in modern tube bundle systems and compare the change to the initial design specification developed by the UK National Coal Board, investigate possible operational impacts and provide a technical fix to solve the current flow issues being experienced at some mines.

Oct 12, 2022

By E Thomas, L McCallum, G Dale, J Bennett, K Reardon-Smith, S Raine

Sustainable closure of coal mines in Australia to a safe, stable, non-polluting condition remains one of the industry’s biggest environmental and social challenges. A significant proportion of mines in the Bowen Basin of Queensland have dispersive spoil. Based on an estimated area of 20,000ha and a rehabilitation cost of AUD$100,000 to AUD$150,000/ha, the instantaneous rehabilitation liability for the Bowen Basin alone is estimated at AUD$2 to $3 billion.Dispersive spoils present problems in post-mining rehabilitated landforms due to increased potential for surface and tunnel erosion, compromising the ability to achieve fundamental mine closure objectives of a safe, stable, non-polluting and self-sustaining post-mining landform (Minserve, 2004). Dispersion results in clay particles being mobilised and transported in water, even at low flow velocities (So et al., 1998; Minserve, 2004), and blocking of soil pores, resulting in surface sealing, crusting and reduced permeability (DNR, 1997; Vacher et al., 2004) which, in turn, further increases runoff (Dang et al., 2018).CITATION:Dale, G, Reardon-Smith, K, Thomas, E, Bennett, J, McCallum, L and Raine, S, 2018. A process-based approach to mine rehabilitation decision making using Bayesian modelling and risk-based principles for dispersive spoil rehabilitation, in Proceedings Life-of-Mine 2018, pp 106–109 (The Australasian Institute of Mining and Metallurgy: Melbourne).

Jul 25, 2018

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