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We report the results of modelling the transport of n-octane and n-hexadecane and their mixtures through carbonaceous nanopores at high-pressure conditions. Pores are modelled as smooth slit sheets with perturbations added as ridges and steps and a version of the Statistical Associating Fluid Theory (SAFT-γ Mie) is used both as equation of state and as a coarse-grained force field to account for fluid-fluid and fluid-solid molecular interactions. Molecular simulation allowed the description of transport diffusivities in terms of molecular flow, using boundary driven non-equilibrium molecular dynamics (BD-NEMD). Transport diffusivities are also independently calculated using equilibrium and external force non-equilibrium molecular dynamics (EF-NEMD) simulations, after accounting for the adsorption on the pores. We show consistency between the approaches for quantifying transport in terms of permeabilities (Darcy flows) and transport diffusivities. We find that smooth slit carbon pore models, which are commonly employed in literature as surrogates for kerogen regions in shale, are an inadequate representation of ultra-confined natural pores. For slit pores, the flow patterns are characterized by a fully-mutualized plug-like flow and fast transport. However, by incorporating even a small amount of rugosity (roughness) to the solid walls, the diffusion coefficients decrease dramatically with surface roughness significantly affecting the characteristic transport and velocity profiles inside the pores. In all cases, it is seen that there are important cross-correlation effects, influencing the way components of the mixture flow together. Calculated self-diffusivities are orders of magnitude smaller than the observed transport diffusivities for liquid mixtures. This work has a direct impact on the understanding and modelling of unconventional hydrocarbon recovery and flow in organic shale rocks.

The thermal runaway of Lithium-ion batteries (LIBs) is a fire hazard. The Accelerating Rate Calorimetry (ARC) device is commonly used to investigate thermal runaway parameters of LIBs by assuming adiabatic conditions. However, this assumption ignores internal heat transfer within the cell and external heat transfer at the cell surface. In this work, we conducted ARC experiments using prismatic LiCoO2 cells of 50 mm in side to study the effect of heat transfer limitations. Results show that the external temperature difference between this cell surface and ARC walls varies between 0 and 1.5 ℃ before thermal runaway and increases from 10 to 130 ℃ while thermal runaway occurs. Ignoring external heat transfer causes the heat of reaction of the cell to be underestimated by 12%. To study the internal heat transfer, two models are developed and show that heat transfer causes an internal temperature difference that causes an error of kinetics estimation, and the error grows with cell size. Ignoring heat transfer leads to errors on the thermal runaway parameters quantified by ARC, and these errors could propagate to battery safety design and predictions. This study contributes to designing better ARC experiments and a better understanding of battery safety.

Borehole breakout initiation, progression, and stabilization are modeled using a semi-analytical method based on Melentiev’s graphical conformal mapping procedure, and Kolosov–Muskhelishvili complex stress potentials. The only input data required are the elastic moduli of the rock, the Coulomb strength parameters (cohesion and angle of internal friction), and the far-field stresses. The stresses around the borehole wall are computed, the region in which the rock has failed is then “removed”, creating a new borehole shape. This process is iterated until a shape is obtained for which the breakout will progress no further, and a stable state has been reached. This modeling shows that stresses around the flank of the breakout evolve so as to reduce the propensity for shear failure, which helps to explain why the breakout width remains relatively constant throughout the process, even as the breakout region deepens radially. The failed area around the borehole becomes smaller and more localized, as the breakout tip sharpens and deepens. Using the Mogi–Coulomb failure criterion, a good match is obtained between the modeled breakout geometry and the geometry observed by Herrick and Haimson in laboratory experiments on an Alabama limestone. The new method leads to a correlation between breakout geometry, rock strength properties, and in situ stress. The paper ends with a critical discussion of the possibility of inferring the in situ stress state from observed breakout geometries.

The stabilisation of slopes with rows of discrete vertical piles is a commonly adopted method for both cuttings and embankment slopes. The majority of existing design procedures consider the pile only as an additional force or moment acting on the critical slip surface of the unstabilised slope. Based on simplified models, existing design methodologies effectively ignore any interaction of the pile with the evolution of the failure mechanism, while they do not consider important aspects of soil behaviour for slope stability relating to a strain-softening response. This paper presents a numerical investigation that challenges the above-mentioned simplifications, demonstrating the importance of the soil/pile interaction. Two-dimensional plane-strain hydro-mechanically coupled finite-element analyses were performed to simulate the excavation of a slope, considering materials with both a strain-softening and non-softening response. The impact of pile position and time of pile construction on the stability of a cutting were parametrically examined, comparing and contrasting the findings for the different material types. The results suggest that an oversimplification during design regarding the soil/pile interaction could entirely miss the critical failure mechanism.

This study investigated the important role of agitation in obtaining consistent and reproducible results when moving from preliminary qualitative screenings for protein crystallisation to quantitative batch crystallisation experiments. Lysozyme-thaumatin binary protein mixture was used as the model protein system in this study. Poor reproducibility between batches were observed for non-agitated crystallisation conditions even if the same sampling timing and frequency applied. With agitation, from 0 to 200 rpm investigated in this study, improved reproducibility of protein crystallisation was observed with increased agitation. Additionally, agitation also had impacts on supersaturation exhaustion rate, yield and crystal size. Moreover, in agitated batch crystallisation, it was found that target protein crystallisation process was decelerated in the presence of protein impurity. In conclusion, we emphasised the essential role of agitation in protein crystallisation experiments else misleading conclusions with inconsistency might be drawn from non-agitated systems.

Thermo-active structures are underground facilities that enable the exchange of thermal energy between the ground and the overlying buildings, thus providing renewable means of space heating and cooling. Although this technology is becoming increasingly popular, the behaviour of geotechnical structures under additional thermal loading is still not fully understood. This paper focuses on the use of underground tunnels as thermo-active structures and explains their behaviour through a series of finite-element analyses based on an existing case study of isothermal tunnels in London Clay. The bespoke finite-element code adopted – the Imperial College Finite Element Program (ICFEP) – is capable of simulating the fully coupled thermo-hydro-mechanical behaviour of porous materials. The complex coupled interactions between the tunnel and the surrounding soil are explored by comparing results from selected types of coupled and uncoupled simulations. It is demonstrated that: (a) the thermally induced deformation of the tunnel and the ground are more critical design aspects than the thermally induced forces in the tunnel lining, and (b) the modelling approach in terms of the type of analysis, as well as the assumed permeability of the tunnel lining, has a significant effect on the computed tunnel response and, hence, must be chosen carefully.

A probabilistic risk assessment framework was developed to mathematically represent the complex engineering phenomena of rock bursts and gas outbursts for a heterogeneous coal seam. An innovative object-based non-conditional simulation approach was used to distribute lithological heterogeneity present in the coal seam to respect their geological origin. The changing mining conditions during longwall top coal caving mining (LTCC) were extracted from a coupled numerical model to provide statistically sufficient data for probabilistic analysis. The complex interdependencies among abutment stress, pore pressure, the volume of total gas emission and incremental energy release rate, their stochastic variations and uncertainty were realistically implemented in the GoldSim software, and 100,000 equally likely scenarios were simulated using the Monte Carlo method to determine the probability of rock bursts and gas outbursts. The results obtained from the analysis incorporate the variability in mechanical, elastic and reservoir properties of coal due to lithological heterogeneity and result in the probability of the occurrence of rock bursts, coal and gas outbursts, and safe mining conditions. The framework realistically represents the complex mining environment, is resilient and results are reliable. The framework is generic and can be suitably modified to be used in different underground mining scenarios, overcoming the limitations of earlier empirical indices used.

Despite the large quantity of works dedicated to the analysis and modelling of deposition in single-phase flows, very few models have been proposed for deposition of solids in two-phase pipe flows of gas and liquid. A comprehensive mechanistic model for transient, multiphase pipe flow with phase change is proposed, which takes into account effects of deposition by mass diffusion, ageing, and shearing of the deposit layer. Validation is performed with an exhaustive database of experimental data from the literature, for steady and transient flows without deposition, and deposit thickness measurements for single-phase, slug and stratified flows. Most of the predictions are within a 20% error band from the experimental data, with slightly worse performance in the case of deposition in slug flows. A surrogate model is also developed based on active-learning sampling of the simulator results, demonstrating a technique that could be used for optimization or design of engineering devices.

In unresolved flow CFD-DEM simulations, the porosity values for each CFD cell are determined using a coarse-graining algorithm. While this approach enables coupled simulations of representative numbers of particles, the influence of the porosity local to the particles on the fluid-particle interaction force is not captured. This contribution considers a two-grid coarse-graining method that determines a local porosity for each particle using a radical Voronoi tessellation of the system. A relatively fine, regular point cloud is used to map these local porosity data to the CFD cells. The method is evaluated using two different cases considering both disperse and tightly packed particles. The data show that the method conserves porosity data, is reasonably grid-independent and can generate a relatively smooth porosity field. The new method can more accurately predict the fluid-particle interactive force for polydisperse particle system than alternative methods that have been implemented in unresolved CFD-DEM codes., 22 pages, 21 figures. Article published in Powder Technology (see https://doi.org/10.1016/j.powtec.2021.02.025)

Installation of granular columns is a cost-effective and versatile in situ technique to improve the shear strength, settlement, and drainage behaviour of weak soils. It involves backfilling vertical boreholes in the ground with granular materials stiffer than the native soil, such as stone or compacted sand. However, the massive use and overexploitation of sand and natural aggregates have depleted their reserves in recent decades, causing damage to the environment, creating sand shortages and skyrocketing their price. Hence, it is essential to develop a sustainable alternative to natural aggregates to construct granular columns. The ever-increasing stockpiles of waste glass could be a potential replacement for natural sand in several geotechnical construction applications, noting that both materials have a similar chemical composition. Using crushed waste glass (CWG) as an alternative to traditional natural and manufactured (quarried) sands in granular columns could offer a multi75 pronged benefit by recycling non-biodegradable waste (glass) and by conserving a depleting natural resource (sand). Using a large direct shear (LDS) machine, this study investigated the shear strength behaviour of kaolin (to represent a typical weak soil) reinforced with a central granular column. Three different materials were separately used to backfill the column, including natural sand (NS), manufactured sand (MS) and CWG. The results revealed that the geocomposites containing the CWG column have the highest peak friction angle and relatively greater shear strength under high normal stresses, favouring the potential use of CWG as a green alternative to traditional sands in backfilling granular columns, ultimately supporting resource conservation, waste recycling and the paradigm shift towards a circular economy.

The complexity of advanced constitutive models often dictates that their capabilities are only demonstrated in the context of model testing under controlled conditions. In the case of earthquake engineering and liquefaction in particular, this restriction is magnified by the difficulties in measuring field behaviour under seismic loading. In this paper, the well-documented case of the Canterbury earthquake sequence in New Zealand, for which extensive field and laboratory data are available, is utilised to demonstrate the accuracy of a bounding surface plasticity model in fully coupled finite-element analyses. A strong motion station with manifestation of liquefaction and the second highest peak vertical ground acceleration during the 22 February 2011 Mw 6·2 seismic event is modelled. An empirical assessment predicted no liquefaction for this station, making this an interesting case for rigorous numerical modelling. The calibration of the model aims at capturing both the laboratory tests and the field measurements in a consistent manner. The characterisation of the ground conditions is presented, while, to specify the bedrock motion, the records of two stations without liquefaction are de-convolved and scaled to account for wave attenuation with distance. The numerical predictions are compared to both the horizontal and vertical acceleration records and other field observations, showing a remarkable agreement, also demonstrating that the high vertical accelerations can be attributed to compressional resonance. The results provide further insights into the underperformance of the simplified procedure.

Knowledge regarding microseismic characteristics associated with longwall coal mining is crucial in evaluating the potential for underground mining hazards. Although microseismicity is induced by mining activities, it still remains uncertain as to what extent mining activities influence the spatial, temporal, and magnitude characteristics of microseismicity. To establish a thorough understanding of the relationship between microseismic characteristics and mining activities, a 27-month long microseismic monitoring campaign was conducted around a highly stressed coal zone and eight producing longwall panels at Coal Mine Velenje in Slovenia. Each microseismic event was classified to be associated with the producing longwall panel that triggered it, and the microseismic response to multi-panel longwall top coal caving face advance was analysed. Monitoring data have shown that locations of microseismic events coincided with stress concentrated regions. It was established that both seismic count and energy-intensive regions associated with coal mining in different panels are spatially connected, but they do not fully overlap with mined-out or stress concentrated areas. In addition, microseismic event counts frequency was found to be well correlated with mining intensity, while seismic energy magnitude and spatial distribution are poorly correlated with the same. Therefore, microseismic characteristics could not be explained solely by the mining-induced stress transfer and mining intensity, but are believed to be dominated by pre-existing natural fractures throughout the coal seam. Analyses of these observations helped the development of a conceptual seismic-generation model, which provides new insights into the causes of microseismicity in coal mining.

Determination of the explosion severity parameters of biomass is crucial for the safety management and dust explosion risk assessment of biomass-processing industries. These are commonly determined following experimental tests in the 20L sphere according to the international standards. Recently, CFD simulations have emerged as a reliable alternative to predict the explosion behavior with good accuracy and reduced labor and capital. In this work, numerical simulations of biomass dust explosions are conducted with the open-source CFD code OpenFOAM. The multi-phase (gas-solid) flow is treated in an Eulerian-Lagrangian framework, using a two-way coupling regime and considering the reactions of biomass conversion (moisture evaporation, devolatilization, and char oxidation), the combustion of volatile gases, and convective and radiative heat transfer. The model is validated with pressure-time and concentration-dependent experimental measurements of two biomass samples. Results suggest that the characteristics of the cold-flow (ı.e., turbulence levels, actual dust concentration, spatial distribution of the dust cloud, and turbophoresis effect) govern the course of the explosion process, and depend strongly on particle size, dust concentration, and ignition delay time effects. These findings may be relevant in the design of better dust explosion testing devices and to the reexamination of the guidelines for the operation of the experiment. Finally, a thorough discussion on the explosion pressures, degree of biomass conversion, flame temperature, flame propagation patterns, and the dust agglomeration effect is presented.

Recent advances in machine learning, coupled with low-cost computation, availability of cheap streaming sensors, data storage and cloud technologies, has led to widespread multi-disciplinary research activity with significant interest and investment from commercial stakeholders. Mechanistic models, based on physical equations, and purely data-driven statistical approaches represent two ends of the modelling spectrum. New hybrid, data-centric engineering approaches, leveraging the best of both worlds and integrating both simulations and data, are emerging as a powerful tool with a transformative impact on the physical disciplines. We review the key research trends and application scenarios in the emerging field of integrating simulations, machine learning, and statistics. We highlight the opportunities that such an integrated vision can unlock and outline the key challenges holding back its realisation. We also discuss the bottlenecks in the translational aspects of the field and the long-term upskilling requirements of the existing workforce and future university graduates., 20 pages, 2 figures

Microstructured membrane reactors present a promising approach to master the productivity and safety challenges during the direct synthesis of hydrogen peroxide. However, various mass transport processes occur in this complex system. In order to gain a deeper understanding of these processes, the saturation and desaturation behaviour of the liquid reaction medium with the gaseous reactants is investigated experimentally to examine possible cross-contamination. Moreover, the employed PDMS membrane’s permeances to hydrogen and oxygen are researched at different pressures, by using a variable-pressure/constant-volume setup for the behaviour at ambient pressure and a constant-pressure/variable-volume setup for the behaviour at elevated pressures. A mathematical model in MATLAB is applied to simulate the results. It is shown that a certain desaturation of the gasses through the membrane occurs, and the results are underlined by the modelled ones using a solution-diffusion model in MATLAB. Thus a constant flushing of the gas channels of the reactor is required for safety reasons. Moreover, the measured permeance values indicate that the species transport is mainly limited by the diffusion in the liquid phase and not the membrane resistance.

Understanding fluid flow in granular materials is essential for many engineering applications, including petroleum recovery, groundwater movement and embankment stability. This study investigates the influence of particle angularity on permeability and fluid-particle interaction forces. A random shape generator based on spherical harmonics is used to create irregular-shaped particles with different levels of angularity. Granular packings of uniformly sized (monodisperse) particles are then constructed with the discrete element method (DEM), and pore-scale computational fluid dynamics (CFD) simulations are used to determine the flow fields and the resulted fluid-particle interaction. The more angular particle assemblies thus generated are less permeable, and their fluid-particle interaction forces are higher. However, angularity has limited influence on flow rate distribution and flow tortuosity. The influence of angularity is localized. An increase in angularity generates a larger variance of the pressure distribution on the particle surfaces, thus increasing the pressure component of the fluid-particle interaction force.

The structural response of a segmental grey cast iron (GCI) tunnel lining ring under distortion was investigated by means of finite element (FE) analysis. Building on previous experimental investigations, a 3D numerical model, capable of reproducing accurately the behaviour observed in the laboratory, was developed with the aim of providing guidelines for the structural assessment of GCI linings in engineering practice. A comprehensive validation of the segmental ring model with the laboratory data was first completed. Subsequently, a parametric study was conducted using a set-up that replicated the widely adopted elastic continuum method, so that differences between the numerical and the analytical solution could be attributed to the presence of the longitudinal joints. In this manner, the influence of the joints on the ring response was quantitatively established and recommendations for routine engineering calculations developed. A set of bending stiffness reduction factors are proposed as a function of the tunnel ovalisation, providing upper and lower limits of the bending stiffness, as well as a global reduction factor which is an average measure of the bending stiffness reduction. These factors can be integrated into the calculation procedure of closed-form solutions in order to account for the segmental nature of GCI linings.

Comminution is an essential step in processing itabirite ores, given the need to liberate silica and other contaminants from the iron minerals for downstream concentration and then pellet feed production. In general, these ores in Brazil are not particularly hard to crush and grind, but both capital (CAPEx) and operating (OPEx) expenditures in this stage of preparation can be critical for the project, in particular due to uncertainties in iron ore prices. Several circuits have been designed and are in operation for this type of ore in Brazil, however, it is not yet clear which technologies are more cost-effective and in which configuration they should be applied. This work critically analyzes four comminution circuits for an undisclosed case study. For these circuits, CAPEx, OPEx, and some environmental sustainability indices, as well as qualitative technical criteria, were used in the comparisons. This work concludes that two of these process routes, especially those based on more energy-efficient technologies (and one of these still rarely explored even at bench-scale), have demonstrated to be very attractive from multiple standpoints.

The local flow field and seepage induced drag obtained from Pore Network Models (PNM) is compared to Immersed Boundary Method (IBM) simulations, for a range of linear graded and bimodal samples. PNM were generated using a weighted Delaunay Tessellation (DT), along with the Modified Delaunay Tessellation (MDT) which considers the merging of tetrahedral Delaunay cells. The local pressure field was very accurately captured in all linear graded and bimodal samples. Local flux (flow rate) exhibited more scatter, but the PNM based on the MDT clearly provided a better correlation with the IBM. There was close similarity in the network shortest paths obtained from PNM and IBM, indicating that the PNM captures dominant flow channels. Further, by overlaying the PNM on a streamline profile, it was demonstrated that local pressure drops coincided with the pore constrictions. A rigorous validation was undertaken for the drag force calculated from the PNM by comparing with analytical solutions for ordered array of spheres. This method was subsequently applied to all linear graded and bimodal samples, and the calculated force was compared with the IBM data. Linear graded samples were able to calculate the force with reasonable accuracy, while the bimodal sample exhibited slightly more scatter., Comment: 37 pages, 28 figures. Article published in Computers and Geotechnics (see https://doi.org/10.1016/j.compgeo.2019.02.007)

Experimental data have demonstrated that a strong relationship exists between the state parameter and the peak strength and dilatancy characteristics of sands. This paper proposes a way of reproducing this behaviour using a modified Mohr-Coulomb failure criterion, which retains its simplicity while improving substantially its modelling capabilities. The formulated constitutive model is calibrated for Nevada sand following a well-defined procedure and used in the prediction of four centrifuge tests investigating the behaviour of axially loaded footings. It is shown that the proposed model reproduces well both the element tests and the more complex footing problems, demonstrating its usefulness for engineering practice. Moreover, a simplified version which does not require the definition of the Critical State Line is proposed for situations when this aspect of soil behaviour cannot be determined with confidence. It is shown that such simplification results in only slightly less accurate predictions than the full version of the model, while simulating aspects of soil response that cannot be reproduced using constant values for strength and dilatancy parameters.

We combine reduced order modelling and system identification to reconstruct the temporal evolution of large scale vortical structures behind the blades of a Rushton impeller. We performed Direct Numerical Simulations at Reynolds number 600 and employed proper orthogonal decomposition (POD) to extract the dominant modes and their temporal coefficients. We then applied the identification algorithm, N4SID, to construct an estimator that captures the relation between the velocity signals at sensor points (input) and the POD coefficients (output). We show that the first pair of modes can be very well reconstructed using the velocity time signal from even a single sensor point. A larger number of points improves accuracy and robustness, and also leads to better reconstruction for the second pair of POD modes. Application of the estimator derived at Re=600 to the flows at Re=500 and 700, shows that it is robust with respect to changes in operating conditions.

The production of 1,3-propanediol (1,3-PD) from glycerol by Klebsiella pneumoniae is limited by synthesis of numerous byproducts. Among them, the accumulation of acetate has the largest negative impact on the fermentation performance. To address the acetate overflow caused by knocking out lactate dehydrogenase, alcohol dehydrogenase and succinate dehydrogenase, several metabolic engineering manipulations were conducted. First, acetate was reduced through enhancing the acetate assimilation pathway by overexpressing heterologous acetyl-CoA synthetase. Then, the polyhydroxybutyrate (PHB) synthesis pathway was introduced to further reprogram the intracellular carbon metabolism. As a result, the best performed strain Kpr-6 produced up to 91.2 g/L extracellular 1,3-PD and 2.56 g/L intracellular PHB which can be easily separated from each other, while the acetate was dramatically reduced. The metabolic engineering strategies developed in this study would be helpful for constructing the microbial cell factory for other similar bio-based chemical production.

The SAFT‐ɣ Mie group‐contribution equation of state is used to represent the fluid‐phase behaviour of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH2, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclohexylamine groups (cCHNH, cCHN) with water (H2O). The group‐interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group‐contribution nature of the method, one can describe the fluid‐phase behaviour of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid‐liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with SAFT‐ɣ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapour‐liquid, liquid‐liquid, and vapor‐liquid‐liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid‐phase behaviour.

This study presents a three-dimensional numerical analysis of multiple fracture growth leading to spalling around nuclear waste deposition boreholes. Mechanical spalling due to stress amplification after drilling is simulated using a finite element-based fracture growth simulator. Fractures initiate in tension based on a damage criterion and grow by evaluating stress intensity factors at each fracture tip. Tip propagation is multi-modal, resulting in final fracture patterns that are representative of both tensile and shear failure. Their geometries are represented by smooth parametric surfaces, which evolve during growth using lofting. The corresponding surface and volumetric meshes are updated at every growth step to accommodate the evolving fracture geometries. The numerical model is validated by comparing simulated fracture patterns against those observed in the AECL Underground Rock Laboratory Mine-By Experiment. It is subsequently calibrated to simulate fracture initiation and growth around boreholes drilled in the Forsmark granodiorite, subjected to a far-field anisotropic triaxial stress that corresponds to the in situ stress model from the Swedish Forsmark site. The deposition tunnel is implicitly simulated by attaching the deposition borehole to a free domain boundary. Several geomechanical cases are investigated, in which fracture growth is numerically evaluated as a function of in situ stress state, tunnel orientation, borehole geometry, total number of boreholes and borehole spacing. Numerical results show that spalling occurs in all cases, given the underground conditions at Forsmark, with borehole geometry, spacing and stresses affecting the extent of fracture nucleation and growth patterns. The uncertainty in underground stress conditions is evaluated through varying stress magnitudes and orientations relative to the tunnel floor. Whereas tunnel orientation influences the relative locations where fractures initiate with respect to the tunnel floor, fracture growth and its final extent is determined by the relative magnitudes of the in situ stresses. Higher stress differential causes higher spalling depths, but in all cases, failure extent is localised to the borehole vicinity, not exceeding one borehole radius. The cylindrical borehole is modified at the top to provide an access ramp for the spent fuel canisters and fracture growth around several deposition boreholes is simulated for borehole tops having cylindrical, conical, and wedge shapes. The enlargement of the borehole top induces higher stress concentrations at the borehole–tunnel junction, increasing the severity of spalling closer to the tunnel floor. Massive failure occurs when a multiple borehole model is considered and the inter-borehole distance is small enough that adjacent “spalled” areas interact. At Forsmark, through-going fractures are predicted to develop when the borehole spacing is less than 4 m. The effect of spalling on the structural integrity of the deposition boreholes is illustrated for each test case and quantified in terms of maximum spalling depth, spalling width and total fractured surface area.

The hardened tool steel AISI O1 has increased strength, hardness, and wear resistance, which affects the complexity of the machining process. AISI O1 has also been classified as difficult to cut material hence optimum cutting parameters are required for the sustainable machining of the alloy. In this work, the effect of feed peer tooth (fz), cutting speed (vc), cutting of depth (ap) on surface roughness (Ra, Rt), cutting force (Fx, Fy), cutting power (Pc), machining cost (Ci), and carbon dioxide (Ene) were investigated during the slot milling process of AISI O1 hardened steel. A regression analysis was carried out on the obtained experimental results and the induction of nonlinear mathematical equations of surface roughness, cutting force, cutting power, and machining cost with a high coefficient of determination (R2 = 90.62&ndash, 98.74%) were deduced. A sustainability assessment model is obtained for optimal and stable levels of design variables when slot milling AISI O1 tool steel. Stable indicators to ensure personal health and safety of operation, P1 values were set to &ldquo, 1&rdquo, at a cutting speed of 20 m/min or 43.3 m/min and &ldquo, 2&rdquo, at a cutting speed of 66.7 m/min or 90 m/min. It is revealed that for eco-benign machining of AISI O1, the optimum parameters of 0.01 mm/tooth, 20 m/min, and 0.1 mm should be adopted for feed rate, cutting speed, and depth of cut respectively.

An equation-of-state (EoS) scheme to correlate the solubility of solids in supercritical fluids is presented. The solute fugacity coefficient is obtained using the pure-solvent compressibility factor, and empirical solute-to-solvent parameter ratios of cohesion factors and covolumes. The proposed method is simpler than conventional EoS calculations since no iteration is required. We retain the link to classical cubic EoS and mixing rules and showcase the application employing both the Redlich-Kwong and Peng-Robinson EoS. The method uses two adjustable parameters, which are computed from experimental data for several binary systems and used to predict solubilities. The results have been favorably compared to those computed by other methods. The advantage of EoS-based models over empirical ones has been emphasized for cases where the solubilities are extrapolated beyond the range of experimental data. The proposal is advantageous for correlating solubility of thermolabile solids in supercritical fluids since no critical properties of the solute are required.

We report a systematic molecular simulation study of the behavior of Lennard‐Jones fluids inside nanopores of diverse shapes, focusing on the effect that the pore geometry and the local energetic environment have on the adsorption isotherms. Infinitely long pores with polygon (triangle, square, pentagon, hexagon, octagon, decagon and circle) cross sections are considered. Three different pore sizes commensurate with the molecular diameters along with three different values of fluid‐solid energy interactions are chosen to perform Grand Canonical Monte Carlo simulations at a subcritical temperature. Overall, the effect of nanoconfinement on the adsorption of fluids is seen to be a delicate balance between the geometric packing restrictions imposed by the hard cores of the molecules and the surfaces, the excess adsorption induced by the presence (or absence) of energetically favored “hot spots” and the overall ratio of surface/bulk fluid volume present in the pore.

The effects of applying a 0.2-T transverse magnetic field on a solidifying Ga-25 wt%In alloy have been investigated through a joint experimental and numerical study. The magnetic field introduced significant changes to both the microstructure and the dynamics of escaping high-concentration Ga plumes. Plume migration across the interface was quantified and correlated to simulations to demonstrate that thermoelectric magnetohydrodynamics (TEMHD) is the underlying mechanism. TEMHD introduced macrosegregation within the dendritic structure, leading to the formation of a stable “chimney” channel by increasing the solutal buoyancy in the flow direction. The resulting pressure difference across the solidification front introduced a secondary hydrodynamic phenomenon that subsequently caused solute plume migration.

Magnesium alloys are commonly melted and held in steel or cast iron crucibles and small but important amounts of Fe and C can dissolve into Mg-rich melts. Here, carbide formation is studied during interface reactions between solid Fe-xC alloys (x = 0–3.6 wt%) and liquid Mg-9Al-0.7Zn-0.2Mn (wt.%, AZ91) at temperatures from 700 to 800 °C. Two ternary carbides, AlFe3C and Al2MgC2, formed in the reaction layers between the Fe-C and AZ91, and T2-Al2MgC2 additionally formed within the AZ91 alloy due to carbon pickup. T2-Al2MgC2 grew in liquid AZ91 as hexagonal plates that were commonly twinned. A reproducible orientation relationship was measured between T2-Al2MgC2 and α-Mg, and the grain refinement of magnesium by heterogeneous nucleation on T2-Al2MgC2 is explored.

Tunnelling and Underground Space Technology, 98, ISSN:0886-7798, ISSN:1878-4364

This paper presents a unified approach through which the influence of the elastic and strength anisotropy on wellbore instability can be thoroughly examined. The stresses at the wellbore wall are first calculated using the Lekhnitskii-Amadei solution, which accounts for elastic anisotropy. Then, shear failure is treated by combining the Mogi-Coulomb criterion for intact rock, with the Jaeger plane of weakness concept. The developed model accounts for all three principal stresses in predicting the onset of shear failure. The results of the specific case investigated show that rock elastic anisotropy induce higher stress concentrations. The difference, compared with the stresses found using the isotropic elastic model, could reach as high as 25% for the highest degree of anisotropy that might be expected for rocks of practical interest. The strengthening effect of the intermediate stress, as reflected in the Mogi-Coulomb criterion, reduces the required mud weight density by approximately 1.0 pounds-per-gallon (ppg). Furthermore, it is demonstrated that the risk posed by bedding slippage, for a wellbore with an inclination between 15° and 50° from the vertical, is masked when an isotropic elastic stress model is used. In contrast, the fully anisotropic model shows that an extra mud weight of approximately 4.5 ppg would be required, in order to avoid bedding plane slippage for the case under investigation. Although these results apply for a particular choice of strength properties and elastic properties, they give an indication of the implications of fully accounting for anisotropy and the effect of the intermediate stress when doing borehole stability analysis.

This paper presents a novel approach for hydromechanical modelling of fractured rocks by linking a finite-discrete element solid model with a control volume-finite element fluid model based on an immersed-body approach. The adaptive meshing capability permits flow within/near fractures to be accurately captured by locally-refined mesh. The model is validated against analytical solutions for single-phase flow through a smooth/rough fracture and reported numerical solutions for multi-phase flow through intersecting fractures. Examples of modelling single- and multi-phase flows through fracture networks under in situ stresses are further presented, illustrating the important geomechanical effects on the hydrological behaviour of fractured porous media., Computers and Geotechnics, 103, ISSN:0266-352X, ISSN:1873-7633

The influence of Ni on the size and twinning of primary Cu6Sn5 crystals in Sn-0.7Cu-0.05Ni and Sn-xCu (x = 0.7, 0.9, 1.1) (mass%) solder joints is studied using synchrotron radiography and SEM-based EBSD. It is shown that the Ni addition does not cause significant refinement of primary Cu6Sn5 if the alloy is fully melted. However, for peak temperatures ≤250 °C relevant to industrial soldering, primary Cu6Sn5 are not completely melted in Sn-0.7Cu-0.05Ni and there are 10–100 times more numerous and smaller crystals than in Sn-0.7Cu. X-shaped Cu6Sn5 crystals with an angle of ∼70° commonly formed in Sn-0.7Cu-0.05Ni/Cu joints and are shown to be penetration twins. This type of growth twinning was only found in partially melted samples, both in Sn-0.7Cu-0.05Ni/Cu joints and binary Sn-1.1Cu alloy. The frequency of twinned crystals was significantly higher in Ni-containing solders. The results are discussed in terms of the influence of Ni on the Cu6Sn5 liquidus slope and on the lattice parameters of (Cu,Ni)6Sn5.

The main constrain for effective gas drainage in coal mines is the low permeability nature of coal reservoirs. As coal mining activities are extending to deeper subsurface, the ever-increasing in situ stress conditions is anticipated to result in much lower permeability and more challenges for gas emission control in coal mines. In recent years, hydraulic slotting using high-pressure waterjet along underground gas drainage boreholes, as a general solution to stimulate low permeability coal seams, has become increasingly favourable. This paper presents a systematic investigation into the sensitivity of borehole slotting performance to a number of field and operational parameters. A wide range of geomechanical properties, in situ stress conditions, slot geometry and spacing of multiple slots were considered in a series of numerical simulations. The relations between these key parameters and the failure zone size/volume induced by slotting were quantified. The effect of different parameters in improving slotting performance has also been ranked, which provides theoretical base for mine operators to optimise slotting operations.

Stirred aerated tanks are a key unit operation in many industries, including froth flotation. Reliable and robust level control is of great importance in maintaining steady operation for successful implementation of higher level optimising control strategies, particularly when such tanks are arranged in series. When changes are made to the rate of aeration, there is a corresponding change in the pulp bubble size and gas holdup (the volume fraction of air in the tank), and consequently the pulp height. Stable operation of flotation tanks must, therefore, include the effect of air rate on pulp height in level control systems, especially if air rate is being actively controlled. In this paper, a model is developed from first principles to link the change in gas holdup with variation in air rate under dynamic conditions, accounting for the variability in gas holdup with height that results from differences in gas compressibility. This is validated experimentally. In order to test the model, experiments were carried out using a 70 L laboratory tank comprising water and reagent systems. For both simple and complex changes in air rate, the model showed good agreement with the experimental results when predicting the change in pulp height at steady state. Under dynamic conditions, the experimental system exhibited a slightly slower response than is predicted by the model; this is likely to be due to the well mixed assumption not being adequately met. This model provides a method to improve the operating stability of aerated tanks through better modelling of the dynamic pulp height changes that result from changes in air flowrate. In flotation tanks, this will enable greater control over froth height, which has been found to affect significantly mass pull, froth stability and flotation performance.

A new Petrov-Galerkin finite element method for two-dimensional (2D) highly advective flows in porous media, which removes numerical oscillations and retains its precision compared to the conventional Galerkin finite element method, is presented. A new continuous weighting function for quadratic elements is proposed. Moreover, a numerical scheme is developed to ensure the weighting factors are accurately determined for 2D non-uniform flows and 2D distorted elements. Finally, a series of numerical examples are performed to demonstrate the capability of the approach. Comparison against existing methods in the simulation of a benchmark problem further verifies the robustness of the proposed method.

Liberation is a key driver in all mineral separation processes as it limits the maximum possible grade for a given recovery. In flotation, this is further complicated by the fact that it is surface exposure of the floatable minerals that determines the ultimate performance. Liberation, grade and surface exposure are commonly quantified using Scanning Electron Microscopy coupled to Energy Dispersive X-ray spectroscopy (SEM/EDX) analysis of polished sections. The intrinsically 2D nature of this technique can result in significant sampling errors and stereological effects that can affect the quantification of the ore’s textural characteristics. X-ray microCT (XMT) is an imaging method that can non-invasively and non-destructively delineate ore fragments in 3D, thus providing an alternative method that eliminates the need for stereological corrections and readily provides surface exposure. A methodology and automated algorithm were developed for extracting this information from images of closely packed particles. By dividing these particles into classes based on both their surface exposure and grade, the extent to which there is preferential breakage of the particles can be assessed—an important consideration if sufficient surface liberation for good flotation performance is to be achieved at coarser particle sizes. Using low energy scanning simple 3D mineral maps can be obtained via XMT, allowing for the assessment of liberation and surface exposure for each mineral species. The methodology was tested on low grade porphyry copper ore as this is representative of the most commonly treated ore types for copper production.

We apply an improved potential flow model based on conformal mapping to study the sweep pattern of waterfloods in bounded reservoirs. Solutions for streamlines and flood advancement obtained with the new model are validated using an independent but more intricate numerical streamline simulation method. Subsequently, the use of the benchmarked model is demonstrated in a review of the flow patterns in the Quitman field, a tabular reservoir comprising an 18 ft thick payzone of Harris sand interfingering with shales of the Eagle Ford formation. The reservoir is bound by impervious faults modelled by the method of images in earlier studies of the 1970's. In the present study, Riemann's mapping theorem in combination with the Schottky-Klein prime function is applied to find complex potentials that describe the flow in the bounded reservoir. Such an approach can model waterflooding in marginal fields like the Quitman oil field more accurately than previous potential flow methods and can visualize the sweep pattern and compute time-of-flight contours in a simpler and faster fashion than numerical streamline simulators.

Owing to the repeatedly observed strong vertical ground motions and compressional damage of engineering structures in recent earthquakes, the multi-directional site response analysis is increasingly critical for the seismic design of important structures, such as nuclear power plants and high earth dams. However, the site response to the vertical component of the ground motion has not been the subject of detailed investigation in the literature. Therefore, in this paper, the vertical site response due to vertical ground motion is investigated by employing both analytical and numerical methods. First, a one-dimensional frequency domain analytical solution, which can be employed for vertical site response analysis in practice, is studied and compared against time domain finite-element (FE) analyses for the two extreme soil state conditions (i.e. undrained and drained conditions). The vertical site response is further investigated with hydro-mechanically (HM) coupled FE analysis, considering solid–fluid interaction. The parametric studies undertaken show that the predicted vertical site response is strongly affected by the parameters characterising the hydraulic phase, namely, soil permeability and soil state conditions, both in terms of frequency content and amplification. The subsequent corresponding quantitative investigation, of the frequency content and amplification function of the vertical site response, shows that depending on the soil permeability the response is dominated by the two types of compressional waves (fast and slow waves). Notably, the parametric studies identify a range of permeability that significantly affects dynamic soil properties in terms of P-wave velocities, damping ratios and vertical site response, and this range is relevant for geotechnical earthquake engineering applications. It is therefore recommended that coupled consolidation analysis is necessary to simulate this effect accurately at such permeability-dependent intermediate transient states between fully undrained and drained conditions. Finally, this work suggests a simple modification of standard total-stress site response analysis to account for vertical ground motion and solid–pore fluid interaction. In order to simulate the attenuation of the response due to solid–pore fluid interaction effects, it is suggested to employ additional HM viscous damping in total-stress analysis, further to the one used to account for hysteretic material damping. This additional viscous damping can be quantified based on the empirical curves proposed in the paper.

As breakthrough cellular therapy discoveries are translated into reliable, commercializable applications, effective stem cell biomanufacturing requires systematically developing and optimizing bioprocess design and operation. This article proposes a rigorous computational framework for stem cell biomanufacturing under uncertainty. Our mathematical tool kit incorporates: high‐fidelity modeling, single variate and multivariate sensitivity analysis, global topological superstructure optimization, and robust optimization. The advantages of the proposed bioprocess optimization framework using, as a case study, a dual hollow fiber bioreactor producing red blood cells from progenitor cells were quantitatively demonstrated. The optimization phase reduces the cost by a factor of 4, and the price of insuring process performance against uncertainty is approximately 15% over the nominal optimal solution. Mathematical modeling and optimization can guide decision making; the possible commercial impact of this cellular therapy using the disruptive technology paradigm was quantitatively evaluated. © 2017 American Institute of Chemical Engineers AIChE J, 64: 3011–3022, 2018

A fully coupled three-dimensional finite-element model for hydraulic fracturing in permeable rocks is utilised to investigate the interaction between multiple simultaneous and sequential hydraulic fractures. Fractures are modelled as surface discontinuities within a three-dimensional matrix. This model simultaneously accounts for laminar flow within the fracture, Darcy flow within the rock matrix, poroelastic deformation of the rock, and the propagation of fractures using a linear elastic fracture mechanics framework. The leakoff of fracturing fluid into the surrounding rocks is defined as a function of the pressure gradient at the fracture surface, the fluid viscosity, and the matrix permeability. The coupled equations are solved numerically using the finite element method. Quadratic tetrahedral and triangle elements are used for spatial discretisation of volumes and surfaces, respectively. The model is validated against various analytical solutions for plane-strain and penny-shaped hydraulic fractures. Several cases of simultaneous fracturing of multiple hydraulic fractures are simulated in which the effects of the various parameters (the in situ stresses, the distance between fractures, the permeability of the matrix, the Biot poroelastic coefficient, and the number of the fractures in a group) are investigated. The results show that the stress induced by the opening of the fractures, and the stress induced by the fluid leakoff, each have the effect of locally altering the magnitudes and orientations of the principal stresses, hence altering the propagation direction of the fractures. Opening of a fracture induces excessive compression (also known as the “stress shadow”) that causes adjacent fractures to curve away from each other. This excessive compression competes against the differential in situ stresses, which tend to cause the fracture to grow in the plane normal to the minimum in situ stress. The stress shadow effect is reduced by increasing the distance between fractures, and is increased by increasing the leakoff, which may be due to increased permeability of the rock, or an increase in the Biot coefficient.

The shear strength of heavily overconsolidated, stiff-to-hard plastic clays is crucial to their stability and also influential on the ground movements they develop in many geotechnical engineering applications. This paper considers the shear strength anisotropy of the London, Gault, Kimmeridge and Oxford clays through advanced hollow cylinder experiments on multiple high-quality samples taken at similar depths from inland sites where the geotechnical profiles have been established by comprehensive laboratory and in situ testing. Suites of undrained tests are reported, which loaded specimens from their in situ stress states to reach ultimate failure at pre-defined final major principal stress axis orientations defined in the vertical plane, while also controlling or monitoring the intermediate principal stress ratio, b. Both stress path and simple shear tests were undertaken with the hollow cylinder apparatus, which offers key advantages over conventional simple shear equipment. The interpretation reveals patterns of marked shear strength anisotropy that impact significantly on numerous geotechnical engineering applications.

Many engineering applications, such as the formation of soot in hydrocarbon combustion or the precipitation of nanoparticles from aqueous solutions, encompass a polydispersed particulate phase that is immersed in a reacting carrier flow. From a Eulerian perspective, the evolution of the particulate phase both in physical and in particle property space can be described by the population balance equation (PBE). In this article, we present an explicit solution-adaptive numerical scheme for discretizing the spatially inhomogeneous and unsteady PBE along a one-dimensional particle property space. This scheme is based on a space and time dependent coordinate transformation which redistributes resolution in particle property space according to the shapes of recent solutions for the particle property distribution. In particular, the coordinate transformation is marched in time explicitly. In comparison to many existing moving or adaptive grid approaches, this has the advantage that the semi-discrete PBE does not need to be solved in conjunction with an additional system of equations governing the movement of nodes in particle property space. By design, our adaptive grid technique is able to accurately capture sharp features such as peaks or near-discontinuities, while maintaining the semi-discrete system size and adhering to a uniform fixed grid discretization in transformed particle property space. This is particularly advantageous if the PBE is combined with a spatially and temporally fully resolved flow model and a standard Eulerian solution scheme is applied in physical space. In order to accommodate localized source terms and to control the grid stretching, we develop a robust scheme for modifying the coordinate transformation such that constraints on the resolution in physical particle property space are obeyed. As an example, we consider the precipitation of BaSO 4 particles from an aqueous solution in a plug flow reactor. Our findings demonstrate that for a given accuracy of the numerical solution the explicit adaptive grid technique requires over an order of magnitude fewer grid points than a comparable fixed grid discretization scheme.

Sustainable polymers derived from biomass have great potential to replace petrochemical based polymers and fulfill the ever-increasing market demand. To facilitate their industrialization, in this research, a comprehensive superstructure reaction network comprising a large number of reaction pathways from biomass to both commercialized and newly proposed polymers is constructed. To consider economic performance and environmental impact simultaneously, both process profit and green chemistry metrics are embedded into the multiobjective optimization framework, and MINLP is used to enable the effective selection of promising biopolymer candidates. Through this proposed approach, this study identifies the best biopolymer candidates and their most profitable and environmentally friendly synthesis routes under different scenarios. Moreover, the stability of optimization results regarding the price of raw materials and polymers and the effect of process scale on the investment cost are discussed in detail. These results, therefore, pave the way for future research on the production of sustainable biopolymers.

In carbonate reservoir rocks the complex interaction between the petrophysical properties corresponds to the various depositional microstructures which are modified by various diagenetic process es that ultimately define the reservoir quality, and pose challenges to the prediction of permeability. The permeability heterogeneity in the carbonate oil reservoirs of northern Iraq varies widely and is thought to be controlled by a number of different factors. In this work, controls of matrix permeability for the Cretaceous Kometan formation selected from five oil fields in Kirkuk embayment zone have been investigated. Helium porosity, helium pulse decay permeability, brine permeability, Nuclear Magnetic Resonance (NMR), Mercury Injection Capillary pressure (MICP), Scanning Electronic Microscopy (SEM), X-Ray diffraction (XRD), and photomicrography of thin section have been used to investigate the effect of microstructure on the variation of permeability in the Kometan Formation. The formation has porosities and permeabilities which range from 0.5 ± 0.5% to 29 ± 0.5% and from 0.65 ± 0.08 μD to 700 ± 0.08 μD respectively. Three types of pore systems have been investigated using pore type, pore size and pore-throat size as characterizing parameters. We have recognized three microstructural types: (i) matrix composed of nano-intercrystalline pores (pore diameter d p smaller than 1 μm and a nanoporous pore-throat size), (ii) matrix composed of micro-intercrystalline pores (1 < d p < 10 μm with a corresponding micron-scale pore-throat distribution), and (iii) meso-intragranular and moldic pores (d p > 10 μm) also with microporous pore-throat radii. The nano-intercrystalline pore system is common across northern Iraq and represents the effective pore system type in the reservoirs of the Kirkuk embayment zone. For these tight carbonate reservoirs, the mineralogy, especially of quartz and clay minerals (illite and smectite), has little relationship with the measured Klinkenberg-corrected permeability. Consequently, mineralogy is not a useful controlling factor for permeability. Diagenetic processes have altered the depositional texture significantly, resulting in changes to the pore size and pore-throat size distribution and affecting the permeability. In addition the matrix permeability is sensitive to stress, with permeability decreases between −4 × 10 −4 mD/psi and −4 × 10 −5 mD/psi in the effective stress range from 0 psi to 4000 psi. It has been found that of the three microstructure pore types the nano-intercrystalline pore system is more sensitive to increasing effective stress compared to the micro-intercrystalline and meso-intragranular pore systems. Laboratory experiments have shown that stylolisation resulting from regional fluid movements has also affected matrix permeability, with the stylolites acting as barriers to fluid flow and considered to be an important source of tightness of the Kometan formation in the Kirkuk embayment fields.

The numerical dissipation characteristics of the Newmark and generalised-α time-integration schemes are investigated for P-wave propagation in a fully saturated level-ground sand deposit, where higher frequencies than those for S-waves are of concern. The study focuses on resonance, which has been shown to be of utmost importance for triggering liquefaction due to P-waves alone. The generalised-α scheme performs well, provided that the time-step has been carefully selected. Conversely, the dissipative Newmark method can excessively damp the response, changing radically the computed results. This implies that a computationally prohibiting small time-step would be required for Newmark to provide an accurate solution.

Earth-pressure-balance machines (EPBMs) were used for the construction of Crossrail tunnels in London, providing opportunities for field investigation of consequent ground response. Analysed results from an instrumented research site in Hyde Park with extensive surface and subsurface monitoring arrays are presented and discussed. The Crossrail tunnels at the site are 34·5 m below ground, deeper than those in most case histories of tunnelling in stiff clay in the UK. This paper characterises the tunnelling-induced ground response, both ‘greenfield’ and in the proximity of the existing Central Line tunnels, dealing with measurements at the ground surface. A companion paper covers the subsurface ground response. Vertical and horizontal ground surface displacements were obtained from manual precise levelling and micrometer stick measurements. Several key findings will benefit future tunnelling projects involving EPBMs. Volume loss values measured at the instrumented site were low, being less than 0·8% and 1·4% for the first and second tunnel drives respectively, higher values being associated with ground softening from the first tunnel construction. Smaller volume losses were recorded in the vicinity of the existing Central Line tunnels, compared with the greenfield location, suggesting that their presence inhibited the development of ground movements. Asymmetric settlement troughs developed due to either the nearby pre-existing tunnels or the construction of the first tunnel. Marginally smaller values of trough width parameter, Ky, were determined for these deeper tunnels compared with previous greenfield ground case histories. Resultant vectors of ground surface displacement were directed to well-defined point-sinks above the tunnel axis level.

© 2017 Elsevier LtdThis study presents an investigation, using 3D X-ray micro computed tomography (μCT), into the effect of sulfide mineral position within an ore particle on leaching efficiency. Three sections of an unsaturated mini-leaching column that had been packed with agglomerated low-grade, low-porosity chalcopyrite ore and leached with an acidified ferric iron solution were imaged at different stages of a 102 day experiment. Image analysis was used to quantify changes in the mineral content and the influence on this of the mineral distance from the ore particle surface, local voidage and radial position within the column. The main factor affecting the mineral recovery was identified to be proximity of the mineral to the ore particle surface, with recovery decreasing with increasing distance from the ore surface. A maximum leaching penetration was observed to exist at 2 mm from the surface, beyond which no recovery was achieved. Higher recoveries at the column wall indicated that preferential flow in this higher voidage had an additional, albeit smaller, impact on leaching efficiency.