Yes / Twin-screw granulation has emerged as a key process in powder processing industries and in the pharmaceutical sector to produce granules with controlled properties. This comprehensive review provides an overview of the simulation techniques and approaches that have been employed in the study of twin-screw granulation processes. This review discusses the major aspects of the twin-screw granulation process which include the fundamental principles of twin-screw granulation, equipment design, process parameters, and simulation methodologies. It highlights the importance of operating conditions and formulation designs in powder flow dynamics, mixing behaviour, and particle interactions within the twin-screw granulator for enhancing product quality and process efficiency. Simulation techniques such as the population balance model (PBM), computational fluid dynamics (CFD), the discrete element method (DEM), process modelling software (PMS), and other coupled techniques are critically discussed with a focus on simulating twin-screw granulation processes. This paper examines the challenges and limitations associated with each simulation approach and provides insights into future research directions. Overall, this article serves as a valuable resource for researchers who intend to develop their understanding of twin-screw granulation and provides insights into the various techniques and approaches available for simulating the twin-screw granulation process.

Asphalt mix design includes the determination of a gradation, asphalt content, other volumetric properties, the evaluation of mechanical properties and moisture damage potentials. In this study, a computational method is developed to aid mix design. Discrete element method (DEM) was used to simulate the formation of skeleton and voids structures of asphalt concrete of different gradations of aggregates. The optimum gradation could be determined by manipulating the particle locations and orientations and placing smaller particles in the voids among larger particles. This method aims at an optimum gradation, which has been achieved through experimental methods. However, this method takes the mechanical properties or performance of the mixture into consideration, such as inter-aggregate contacts and local stability. A simple visco-elastic model was applied to model the contacts between asphalt binder and aggregates. The surface texture of an aggregate particle can be taken into consideration in the inter-particle contact model. The void content before compactions was used to judge the relative merits of a gradation. Once a gradation is selected, the Voids in Mineral Aggregate (VMA) can be determined. For a certain air void content, the mastics volume or the binder volume or the asphalt content can be determined via a digital compression test. The surface area of all the aggregates and the film thickness can be then calculated. The asphalt content can also be determined using an alternative approach that is based on modeling the inter-particle contact with an asphalt binder layer. In this study, considering the necessity of preservation of the compaction temperature, the effect of various temperatures on Hot Mix Asphalt (HMA) samples properties has been evaluated. As well, to evaluate the effect of this parameter on different grading, two different grading have been used and samples were compacted at various temperatures. Air voids also influence pore water pressure and shrinkage of asphalt binder and mixture significantly. The shrinkage is measured on a digital model that represents beams in a steel mold and is defined as the linear autogenous deformation at horizontal direction. / Ph. D.

According to the Mine Health and Safety Administration (MSHA), between 2006 and 2016, the underground stone mining industry had the highest fatality rate in 4 out of 10 years, compared to any other type of mining in the United States. Additionally, the National Institute for Occupational Safety and Health (NIOSH) stated that structurally controlled instability is a predominant failure mechanism in underground limestone mines. This type of instability occurs when the different discontinuity sets intercept with each other forming rock blocks that displace inwards the tunnel as the excavation takes place, posing a great hazard for miners and overall mine planning. In recent years, Terrestrial laser scanning (TLS) has been used for mapping and characterizing fractures present in a rock mass. TLS is a technology that allows to generate a three-dimensional multimillion point cloud of a scanned area. In addition to this, the advances in computing power throughout the past years, have allowed numerical modeling codes to represent more realistically the behavior of a fractured rock masses. This work presents and implements a methodology that integrates laser scanning technology along with Discrete Element Modeling as tools for characterizing, preventing, and managing structurally controlled instability that may affect large-opening underground mines. The stability of an underground limestone mine that extracts a dipping ore body with a room and pillar (and eventual stoping) mining method is analyzed with this approach. While this methodology is proposed based on a specific case study that does not meet the requirements to be designed with current NIOSH published guidelines, this process proposes a general methodology that can be applied in any mine experiencing similar failure mechanisms, considering site-specific conditions. The aim of this study is to ensure the safety of mine workers and to reduce accidents that arise from ground control issues. The results obtained from this methodology allowed us to generate Probability Density Functions to estimate the probability of rock fall in the excavations. These models were also validated by comparing the numerical model results with those obtained from the laser scans. / M.S. / According to the Mine Health and Safety Administration (MSHA), between 2006 and 2016, the underground stone mining industry had the highest fatality rate in 4 out of 10 years, compared to any other type of mining in the United States. Additionally, the National Institute for Occupational Safety and Health (NIOSH) stated that structurally controlled instability is one of the main causes of rock falls in underground limestone mines. This type of instability occurs when the fractures present in the rock mass intercept each other forming rock blocks that displace into the tunnel as the excavation takes place and poses a great hazard for miners. In recent years, Terrestrial laser scanning (TLS) has been used for mapping and characterizing fractures present in a rock mass. TLS is a technology that allows to generate a three-dimensional multimillion point cloud of a scanned area. In addition to this, the advances in computing power throughout the past years, have allowed simulation softwares such as the Discrete Element Model (DEM) to represent more realistically the behavior of a fractured rock mass under excavation. The aim of this work was to develop and evaluate a methodology that could complement already exisiting design guidelines that may not apply to all kind of underground mines. The presented methodology evaluates rock failure due to presence of discontinuites, through the integration of TLS with DEM and considers site specific conditions. An area of a case study mine was assessed with this methodology, where several laser scans were performed. Information extracted from this laser scans was used to simulate the response of the rock mass under excavation by running Discrete Element Numerical Models. Results from these models allowed us to estimate the probability of rock failure in the analized areas. These, rock block failure probability estimations provide engineers a tool for characterizing, preventing, and managing structurally controlled instability, and ultimately improving workers safety.

Thermal energy storage (TES) systems based on renewable energy sources (concentrated solar, wind, and photovoltaic etc.) are crucial to reducing dependence on conventional energy generation systems and reducing renewable energy’s intermittent nature. TES can be utilized in conjunction with concentrated solar power (CSP) in particle-based power cycles where the particles can be charged (heat addition) using solar energy and then discharged (heat extraction) using particle-based heat exchangers (HX). Efficient particle based HXs are vital in coupling heat transfer fluid (HTF) from thermal receivers to power cycle working fluid (WF). Heat transfer enhancement is essential for adopting particle-based moving packed-bed heat exchangers (MPBHXs) in next-generation TES systems, as MPBHXs usually exhibit low particle bed-to-wall heat transfer coefficients and total heat transfer rate. This dissertation focuses on addressing the limitations of MPBHXs by computationally studying the heat transfer performance enhancement due to granular flows in metal foam-based MPBHXs and reactive flow-based MPBHXs. Comprehensive multidimensional, multiscale, and multiphysics models are developed to predict the TES/TCES (Thermochemical energy storage) performance accurately. First, the flow properties through metal foams are determined, followed by granular flow through metal foam-based particle-to-sCO2 HXs to predict the heat transfer enhancement. Then, granular flows with reactive and sensible heat-only particles are studied in particle-to-sCO2 HXs to predict the heat transfer enhancement, followed by the development of discrete element models (DEM) in inclined moving bed granular flows to study particle-scale heat and mass transfer. Overall, this study provides valuable insights into effective modeling of granular flows from continuum to discrete scales and improved design and operation of particle-based heat exchangers and thermochemical reactors.

This thesis presents a computational framework that models the coupled behavior between sand deposits and their surrounding fluid. Particle deposits that form in gas turbine engines and industrial burners, can change flow dynamics and heat transfer, leading to performance degradation and impacting durability. The proposed coupled framework allows insight into the coupled behavior of sand deposits at high temperatures with the flow, which has not been available previously. The coupling is done by using a CFD-DEM framework in which a physics based collision model is used to predict the post-collision state-of-the-sand-particle. The collision model is sensitive to temperature dependent material properties of sand. Particle deposition is determined by the particle's softening temperature and the calculated coefficient of restitution of the collision. The multiphase treatment facilitates conduction through the porous deposit and the coupling between the deposit and the fluid field. The coupled framework was first used to model the behavior of softened sand particles in a laminar impinging jet flow field. The temperature of the jet and the impact surface were varied(T^* = 1000 – 1600 K), to observe particle behavior under different temperature conditions. The Reynolds number(Rejet = 20, 75, 100) and particle Stokes numbers (Stp = 0.53, 0.85, 2.66, 3.19) were also varied to observe any effects the particles' responsiveness had on deposition and the flow field. The coupled framework was found to increase or decrease capture efficiency, when compared to an uncoupled simulation, by as much as 10% depending on the temperature field. Deposits that formed on the impact surface, using the coupled framework, altered the velocity field by as much as 130% but had a limited effect on the temperature field. Simulations were also done that looked at the formation of an equilibrium deposit when a cold jet impinged on a relatively hotter surface, under continuous particle injection. An equilibrium deposit was found to form as deposited particles created a heat barrier on the high temperature surface, limiting more particle deposition. However, due to the transient nature of the system, the deposit temperature increased once deposition was halted. Further particle injection was not performed, but it can be predicted that the formed deposit would begin to grow again. Additionally, a Large-Eddy Simulation (LES) simulation, with the inclusion of the Smagorinsky subgrid model, was performed to observe particle deposition in a turbulent flow field. Deposition of sand particles was observed as a turbulent jet (Re jet=23000,T_jet^*= 1200 K) impinged on a hotter surface(T_surf^*= 1600 K). Differences between the simulated flow field and relevant experiments were attributed to differing jet exit conditions and impact surface thermal conditions. The deposit was not substantive enough to have a significant effect on the flow field. With no difference in the flow field, no difference was found in the capture efficiency between the coupled and decoupled frameworks. / Master of Science / Particle deposits can form in a wide range of environments leading to altered performance. In applications, such as jet engines, particles are heated to critically high temperatures. At these high temperatures, the particles can soften, and begin to exhibit characteristics of both a liquid and a solid. Overtime as these softened particles aggregate on a wall, a deposit will begin to form. These deposits alter the geometry resulting in changes in fluid temperature and velocity. This change in fluid behavior will affect the rate of particle deposition that happens in the future. There has been limited work that has looked at the coupled behavior between a deposit and its surrounding fluid, experimentally or computationally. The purpose of this research was to develop a framework that models the deposition of softened particles, and the coupled behavior between deposits and the fluid. This research was able to show that the presence of a deposit could change its surrounding fluid’s velocity and temperature significantly. Differences in the rate of particle deposition also occurred when a deposit had formed on a surface. These results show the importance of capturing the relationship between deposits and the surrounding fluid. With further development, this proposed framework can provide insight into altered gas turbine performance and can lead to improved maintenance plans.

No / The pharmaceutical powder and tableting process is simulated using a combined finite-discrete element method and contact dynamics for irregular-shaped particles. The particle-scale formulation and two-stage contact detection algorithm which has been developed for the proposed method enhances the overall calculation efficiency for particle interaction characteristics. The irregular particle shapes and random sizes are represented as a pseudo-particle assembly having a scaled up geometry but based on the variations of real powder particles. Our simulations show that particle size, shapes and material properties have a significant influence on the behaviour of compaction and deformation.

<p>A procedure for calibrating a discrete element (DE) computational soil model for various moisture contents using a conventional Asperity-Spring friction modeling technique is presented in this thesis. The procedure is based on the outcomes of two physical soil experiments:</p> <p>(1) Compression and (2) unconfined shear strength at various levels of normal stress and normal pre-stress. The Compression test is used to calibrate the DE soil plastic strain and elastic strain as a function of Compressive stress. To calibrate the DE inter-particle friction coefficient and adhesion stress as a function of soil plastic strain, the unconfined shear test is used. This thesis describes the experimental test devices and test procedures used to perform the physical terramechanical experiments. The calibration procedure for the DE soil model is demonstrated in this thesis using two types of soil: sand-silt (2NS Sand) and silt-clay(Fine Grain Soil) over 5 different moisture contents: 0%, 4%, 8%, 12%, and 16%. The DE based models response are then validated by comparing them to experimental pressure-sinkage results for circular disks and cones for those two types of soil over 5 different moisture contents. The Mean Absolute  Percentage Error (MAPE) during the compression calibration was 26.9% whereas during the unconfined shear calibration, the MAPE was calculated to be 11.38%. Hence, the overall MAPE was calculated to be 19.34% for the entire calibration phase.</p>

Thesis (MScEng)--Stellenbosch University, 2012. / ENGLISH ABSTRACT: One of the main challenges in using the Discrete Element Method (DEM) is to specify the correct input parameter values. In general, the models are sensitive to the input parameter values and accurate results can only be achieved if the correct values are specified. For the linear contact model, micro parameters such as the particle density, stiffness, coefficient of friction, as well as the particle size and shape distributions are required. Thus, there is a need for a procedure to accurately calibrate these parameters before any attempt can be made to accurately model a complete bulk materials handling system. Since the DEM is often used to model applications in the mining and quarrying industries, a calibration procedure was developed for materials that consist of relatively large (up to 40 mm in size) particles. A coarse crushed aggregate was used as the test material. Using a specially designed large scale shear box, the confined Young’s Modulus and internal friction angle of the material were measured by means of the confined compression test and the direct shear test respectively. The bulk (macro) density and porosity were also measured. The particle size distribution was measured while visual inspection was used to identify the different particle shapes. DEM models of the experimental set-up were developed and the input parameter values were varied iteratively until a close correlation between the experimental and numerical results was achieved. The resulting set of input parameter values were then verified through a series of anchor pull-out and angle of repose experiments and simulations. A good correlation between the experimental and numerical results was observed. In a study, independent of the calibration process, a half fraction factorial design was implemented to quantify the effect of the input parameter values on the bulk properties and to construct multiple linear regression models that relate the parameters to the bulk properties. The results were found to be in accordance with expected bulk behaviour, and can be used to develop advanced DEM calibration strategies. Based on the project outcomes, it was concluded that the developed calibration procedure performed satisfactorily and that the calibrated input parameters allow for the accurate modelling of the coarse aggregate. / AFRIKAANSE OPSOMMING: Een van die groot uitdagings in die gebruik van die Diskreet Element Metode (DEM) is om die korrekte invoer parameterwaardes te spesifiseer. Die modelle is in die algemeen sensitief vir die invoer parameterwaardes, en akkurate resultate kan slegs verkry word indien die korrekte waardes gespesifiseer word. Mikroparameters soos partikeldigtheid, styfheid, wrywingskoëffisiënt, die partikelgrootte verspreiding asook die partikelvorm verspreiding, word benodig vir die lineêre kontakmodel. ’n Prosedure word dus benodig om hierdie parameters akkuraat te kalibreer alvorens ’n volledige korrelagte materiaalhanteringstelsel akkuraat gemodelleer kan word. Aangesien die DEM gereeld in die modellering van myn- en gruisgroefbedryf toepassings gebruik word, is ’n kalibrasieprosedure ontwikkel vir materiaal wat bestaan uit relatief groot (tot 40 mm in grootte) partikels. Grofgebreekte klippe is as toetsmateriaal gebruik. Deur gebruik te maak van ’n spesiaal ontwerpte grootskaal-skuifboks is die ingeperkte Young se Modulus en die interne wrywingshoek van die materiaal gemeet deur middel van die ingeperkte kompressietoets en die direkte skuiftoets onderskeidelik. Die makro-digtheid en poreusheid is ook gemeet. Die partikelgrootte verspreiding is gemeet terwyl visuele inspeksie gebruik is om die verskillende partikelvorms te identifiseer. DEM modelle van die eksperimentele opstelling is ontwikkel en die invoer parameterwaardes is herhaaldelik gewysig totdat ’n goeie korrelasie verkry is tussen die eksperimentele en numeriese resultate. Die gevolglike stel invoer parameterwaardes is daarna geverifieer deur ’n reeks ankeruittrek- en natuurlike helling eksperimente en simulasies. In ’n studie, onafhanklik van die kalibrasieproses, is die half-fraksie faktoriaalontwerp geïmplementeer om die invoer parameterwaardes se effek op die makro eienskappe te kwantifiseer en om meervoudige lineêre regressiemodelle te ontwikkel wat die parameters met die makro eienskappe verbind. Die resultate was in ooreenstemming met die verwagte makro gedrag en kan gebruik word om gevorderde DEM kalibrasie-strategieë te ontwikkel. Daar is tot die gevolg gekom dat, gebaseer op die projekresultate, die ontwikkelde kalibrasieprosedure bevredigend presteer en dat die gekalibreerde invoer parameters die akkurate modellering van die grofgebreekte klippe toelaat.

Thesis (MEng)--University of Stellenbosch, 2000. / ENGLISH ABSTRACT: The main goal of the thesis is to validate the ability of discrete element methods (DEM) to predict forced granular flow. Granular flow occurs in a broad spectrum of industrial applications. The thesis focuses on earthmoving processes typical of the mining and agricultural industries. Existing soil mechanics soil-tool models are also investigated and general flow behaviour in and around blades and buckets are established. Soil mechanics theories are used to predict the draft forces on a flat blade moving through granular material. Com and wheat grains are used as material. The rupture (slip) lines in front of the blade are predicted by soil mechanics and compared to experimental results. A two-dimensional test bench is used to visualise the flow of the granular material. Forces and moments that act on the tools are measured. DEM can be used to model industrial granular flow with large displacements. Two types of earthmoving equipment are simulated. The first is a flat blade and the second is a bucket. The forces on these tools are determined using DEM and compared to experimental results. The ability of DEM to predict material compressibility, the flow of material in and around the tools, the rupture lines and the bucket fill rate are investigated. A particle relative displacement method is used to determine the rupture lines. / AFRIKAANSE OPSOMMING: Die hoofdoel van die tesis is om die vermoë van diskrete-element-metodes (DEM) om geforseerde partikelvloei te voorspel, te ondersoek. Partikelvloei word aangetref in 'n breë spektrum van industriële toepassings. Die tesis fokus op grondverskuiwing soos aangetref in myn- en landbouprosesse. Bestaande grondmeganika-modelle word ook ondersoek, asook die algemene gedrag van partikelvloei in en rondom lemme en bakke. Die grondmeganika-modelle word hoofsaaklik gebruik om die kragte op lemme te voorspel. Glip (skuif)-vlakke word ondersoek en vergelyk met eksperimentele resultate. 'n Twee-dimensionele toetsbank word gebruik om die vloei waar te neem. Die kragte en momente op die toerusting word ook gemeet. Mielie- en koringpitte word as materiaal gebruik. DEM kan gebruik word om industriële partikelvloei met groot verplasings te modelleer. Twee tipes toerusting word gesimuleer. Die eerste is 'n plat lem en die tweede 'n bak. Die kragte en momente op dié toerusting word bepaal m.b.V. DEM en dan vergelyk met die eksperimentele resultate. Die vermoë van DEM om materiaalsamedrukking, vloeipatrone, glipvlakke en bakvul-tempo's te voorspel word ondersoek. 'n Partikelrelatiewe- verplasings-metode word gebruik om die glipvlakke te voorspel.

Wheel loaders are fundamental construction equipment to assist handling of bulk material e.g. gravel and stones. During digging operations, it withstands forces that are both large and very complicated to predict. Moreover, it is very expensive to develop prototypes of wheel loader for verification. Consequently, the Discrete Element Method (DEM) was introduced for gravel modeling a couple of years ago to enable prediction of these forces. The gravel model is connected with a Multibody System (MBS) model of the wheel loader, in this thesis a Volvo L180G. The co-simulation of these two systems is a very computer intensive operation and hence, it is important to investigate which parameters that have the largest influence on the simulation results. The aim of this thesis is to investigate the simulation sensitivity with respect to co-simulation communication interval, collision detection interval and gravel normal stiffness.The simulation results are verified by comparison with measurement data from previous tests performed by Volvo CE. The simulations are compared to investigate the relevant parameters. The conclusion of this thesis is that DEM is a method that in a very good way can predict the draft forces during digging operations.