Computational fluid dynamics modelling in cardiovascular medicine.

This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards 'digital patient' or 'virtual physiological human' representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges.

Dissolution-Precipitation in Porous Media: Experiments and Modelling

The evolution of porosity due to dissolution/precipitation processes of minerals and the associated change of transport parameters are of major interest for natural geological environments and engineered underground structures. We designed a reproducible and fast to conduct 2D experiment, which is flexible enough to investigate several process couplings implemented in the numerical code OpenGeosys-GEM (OGS-GEM). We investigated advective-diffusive transport of solutes, effect of liquid phase density on advective transport, and kinetically controlled dissolution/precipitation reactions causing porosity changes. In addition, the system allowed to investigate the influence of microscopic (pore scale) processes on macroscopic (continuum scale) transport. A Plexiglas tank of dimension 10 × 10 cm was filled with a 1 cm thick reactive layer consisting of a bimodal grain size distribution of celestite (SrSO4) crystals, sandwiched between two layers of sand. A barium chloride solution was injected into the tank causing an asymmetric flow field to develop. As the barium chloride reached the celestite region, dissolution of celestite was initiated and barite precipitated. Due to the higher molar volume of barite, its precipitation caused a porosity decrease and thus also a decrease in the permeability of the porous medium. The change of flow in space and time was observed via injection of conservative tracers and analysis of effluents. In addition, an extensive post-mortem analysis of the reacted medium was conducted. We could successfully model the flow (with and without fluid density effects) and the transport of conservative tracers with a (continuum scale) reactive transport model. The prediction of the reactive experiments initially failed. Only the inclusion of information from post-mortem analysis gave a satisfactory match for the case where the flow field changed due to dissolution/precipitation reactions. We concentrated on the refinement of post-mortem analysis and the investigation of the dissolution/precipitation mechanisms at the pore scale. Our analytical techniques combined scanning electron microscopy (SEM) and synchrotron X-ray micro-diffraction/micro-fluorescence performed at the XAS beamline (Swiss Light Source). The newly formed phases include an epitaxial growth of barite micro-crystals on large celestite crystals (epitaxial growth) and a nano-crystalline barite phase (resulting from the dissolution of small celestite crystals) with residues of celestite crystals in the pore interstices. Classical nucleation theory, using well-established and estimated parameters describing barite precipitation, was applied to explain the mineralogical changes occurring in our system. Our pore scale investigation showed limits of the continuum scale reactive transport model. Although kinetic effects were implemented by fixing two distinct rates for the dissolution of large and small celestite crystals, instantaneous precipitation of barite was assumed as soon as oversaturation occurred. Precipitation kinetics, passivation of large celestite crystals and metastability of supersaturated solutions, i.e. the conditions under which nucleation cannot occur despite high supersaturation, were neglected. These results will be used to develop a pore scale model that describes precipitation and dissolution of crystals at the pore scale for various transport and chemical conditions. Pore scale modelling can be used to parameterize constitutive equations to introduce pore-scale corrections into macroscopic (continuum) reactive transport models. Microscopic understanding of the system is fundamental for modelling from the pore to the continuum scale.

Modelling of chloride transport in non-saturated concrete : from microscale to macroscale

Corrosion of steel bars embedded in concrete has a great influence on structural performance and durability of reinforced concrete. Chloride penetration is considered to be a primary cause of concrete deterioration in a vast majority of structures. Therefore, modelling of chloride penetration into concrete has become an area of great interest. The present work focuses on modelling of chloride transport in concrete. The differential macroscopic equations which govern the problem were derived from the equations at the microscopic scale by comparing the porous network with a single equivalent pore whose properties are the same as the average properties of the real porous network. The resulting transport model, which accounts for diffusion, migration, advection, chloride binding and chloride precipitation, consists of three coupled differential equations. The first equation models the transport of chloride ions, while the other two model the flow of the pore water and the heat transfer. In order to calibrate the model, the material parameters to determine experimentally were identified. The differential equations were solved by means of the finite element method. The classical Galerkin method was employed for the pore solution flow and the heat transfer equations, while the streamline upwind Petrov Galerkin method was adopted for the transport equation in order to avoid spatial instabilities for advection dominated problems. The finite element codes are implemented in Matlab® . To retrieve a good understanding of the influence of each variable and parameter, a detailed sensitivity analysis of the model was carried out. In order to determine the diffusive and hygroscopic properties of the studied concretes, as well as their chloride binding capacity, an experimental analysis was performed. The model was successfully compared with experimental data obtained from an offshore oil platform located in Brazil. Moreover, apart from the main objectives, numerous results were obtained throughout this work. For instance, several diffusion coefficients and the relation between them are discussed. It is shown how the electric field set up between the ionic species depends on the gradient of the species’ concentrations. Furthermore, the capillary hysteresis effects are illustrated by a proposed model, which leads to the determination of several microstructure properties, such as the pore size distribution and the tortuosity-connectivity of the porous network. El fenómeno de corrosión del acero de refuerzo embebido en el hormigón ha tenido gran influencia en estructuras de hormigón armado, tanto en su funcionalidad estructural como en aspectos de durabilidad. La penetración de cloruros en el interior del hormigón esta considerada como el factor principal en el deterioro de la gran mayoría de estructuras. Por lo tanto, la modelización numérica de dicho fenómeno ha generado gran interés. El presente trabajo de investigación se centra en la modelización del transporte de cloruros en el interior del hormigón. Las ecuaciones diferenciales que gobiernan los fenómenos a nivel macroscópico se deducen de ecuaciones planteadas a nivel microscópico. Esto se obtiene comparando la red porosa con un poro equivalente, el cual mantiene las mismas propiedades de la red porosa real. El modelo está constituido por tres ecuaciones diferenciales acopladas que consideran el transporte de cloruros, el flujo de la solución de poro y la transferencia de calor. Con estas ecuaciones se tienen en cuenta los fenómenos de difusión, migración, advección, combinación y precipitación de cloruros. El análisis llevado a cabo en este trabajo ha definido los parámetros necesarios para calibrar el modelo. De acuerdo con ellas, se seleccionaron los ensayos experimentales a realizar. Las ecuaciones diferenciales se resolvieron mediante el método de elementos finitos. El método clásico de Galerkin se empleó para solucionar las ecuaciones de flujo de la solución de poro y de la transferencia de calor, mientras que el método streamline upwind Petrov-Galerkin se utilizó para resolver la ecuación de transporte de cloruros con la finalidad de evitar inestabilidades espaciales en problemas con advección dominante. El código de elementos finitos está implementado en Matlab® . Con el objetivo de facilitar la comprensión del grado de influencia de cada variable y parámetro, se realizó un análisis de sensibilidad detallado del modelo. Se llevó a cabo una campaña experimental sobre los hormigones estudiados, con el objeto de obtener sus propiedades difusivas, químicas e higroscópicas. El modelo se contrastó con datos experimentales obtenidos en una plataforma petrolera localizada en Brasil. Las simulaciones numéricas corroboraron los datos experimentales. Además, durante el desarrollo de la investigación se obtuvieron resultados paralelos a los planteados inicialmente. Por ejemplo, el análisis de diferentes coeficientes de difusión y la relación entre ellos. Así como también se observó que el campo eléctrico establecido entre las especies iónicas disueltas en la solución de poro depende del gradiente de concentración de las mismas. Los efectos de histéresis capilar son expresados por el modelo propuesto, el cual conduce a la determinación de una serie de propiedades microscópicas, tales como la distribución del tamaño de poro, además de la tortuosidad y conectividad de la red porosa.

Effects of anesthesia on functional activation of cerebral blood flow and metabolism

Functional brain mapping based on changes in local cerebral blood flow (lCBF) or glucose utilization (lCMRglc) induced by functional activation is generally carried out in animals under anesthesia, usually α-chloralose because of its lesser effects on cardiovascular, respiratory, and reflex functions. Results of studies on the role of nitric oxide (NO) in the mechanism of functional activation of lCBF have differed in unanesthetized and anesthetized animals. NO synthase inhibition markedly attenuates or eliminates the lCBF responses in anesthetized animals but not in unanesthetized animals. The present study examines in conscious rats and rats anesthetized with α-chloralose the effects of vibrissal stimulation on lCMRglc and lCBF in the whisker-to-barrel cortex pathway and on the effects of NO synthase inhibition with NG-nitro-l-arginine methyl ester (l-NAME) on the magnitude of the responses. Anesthesia markedly reduced the lCBF and lCMRglc responses in the ventral posteromedial thalamic nucleus and barrel cortex but not in the spinal and principal trigeminal nuclei. l-NAME did not alter the lCBF responses in any of the structures of the pathway in the unanesthetized rats and also not in the trigeminal nuclei of the anesthetized rats. In the thalamus and sensory cortex of the anesthetized rats, where the lCBF responses to stimulation had already been drastically diminished by the anesthesia, l-NAME treatment resulted in loss of statistically significant activation of lCBF by vibrissal stimulation. These results indicate that NO does not mediate functional activation of lCBF under physiological conditions.

Wind Shear, Gust, and Yaw-Induced Dynamic Stall on Wind-Turbine Blades

This study examined the effect of a spanwise angle of attack gradient on the growth and stability of a dynamic stall vortex in a rotating system. It was found that a spanwise angle of attack gradient induces a corresponding spanwise vorticity gradient, which, in combination with spanwise flow, results in a redistribution of circulation along the blade. Specifically, when modelling the angle of attack gradient experienced by a wind turbine at the 30% span position during a gust event, the spanwise vorticity gradient was aligned such that circulation was transported from areas of high circulation to areas of low circulation, increasing the local dynamic stall vortex growth rate, which corresponds to an increase in the lift coefficient, and a decrease in the local vortex stability at this point. Reversing the relative alignment of the spanwise vorticity gradient and spanwise flow results in circulation transport from areas of low circulation generation to areas of high circulation generation, acting to reduce local circulation and stabilise the vortex. This circulation redistribution behaviour describes a mechanism by which the fluctuating loads on a wind turbine are magnified, which is detrimental to turbine lifetime and performance. Therefore, an understanding of this phenomenon has the potential to facilitate optimised wind turbine design.

Numerical modelling of radiating superorbital flows

Experimental aerodynamic studies of the flows around new aerocapture spacecraft configurations are presently being done in the superorbital expansion tubes at The University of Queensland. Short duration flows at speeds of 10--13 km/s are produced in the expansion tube facility and are then applied to the model spacecraft. Although high-temperature effects, such as molecular dissociation, have long been a part of the computational modelling of the expansion tube flows for speeds below 10 km/s, radiation may now be a significant mechanism of energy transfer within the shock layer on the model. This paper will study the coupling of radiation energy transport for an optically thin gas to the flow dynamics in order to obtain accurate predictions of thermal loads on the spacecraft. The results show that the effect of radiation on the flowfields of subscale models for expansion tube experiments can be assessed by measurements of total heat transfer and radiative heat transfer.

Study of flow behaviour in a three-product cyclone using computational fluid dynamics

Simplicity in design and minimal floor space requirements render the hydrocyclone the preferred classifier in mineral processing plants. Empirical models have been developed for design and process optimisation but due to the complexity of the flow behaviour in the hydrocyclone these do not provide information on the internal separation mechanisms. To study the interaction of design variables, the flow behaviour needs to be considered, especially when modelling the new three-product cyclone. Computational fluid dynamics (CFD) was used to model the three-product cyclone, in particular the influence of the dual vortex finder arrangement on flow behaviour. From experimental work performed on the UG2 platinum ore, significant differences in the classification performance of the three-product cyclone were noticed with variations in the inner vortex finder length. Because of this simulations were performed for a range of inner vortex finder lengths. Simulations were also conducted on a conventional hydrocyclone of the same size to enable a direct comparison of the flow behaviour between the two cyclone designs. Significantly, high velocities were observed for the three-product cyclone with an inner vortex finder extended deep into the conical section of the cyclone. CFD studies revealed that in the three-product cyclone, a cylindrical shaped air-core is observed similar to conventional hydrocyclones. A constant diameter air-core was observed throughout the inner vortex finder length, while no air-core was present in the annulus. (c) 2006 Elsevier Ltd. All rights reserved.

Analysis of stirred mill performance using DEM simulation: Part 2 - Coherent flow structures, liner stress and wear, mixing and transport

Stirred Mills are becoming increasingly used for fine and ultra-fine grinding. This technology is still poorly understood when used in the mineral processing context. This makes process optimisation of such devices problematic. 3D DEM simulations of the flow of grinding media in pilot scale tower mills and pin mills are carried out in order to investigate the relative performance of these stirred mills. In the first part of this paper, media flow patterns and energy absorption rates and distributions were analysed to provide a good understanding of the media flow and the collisional environment in these mills. In this second part we analyse steady state coherent flow structures, liner stress and wear by impact and abrasion. We also examine mixing and transport efficiency. Together these provide a comprehensive understanding of all the key processes operating in these mills and a clear understanding of the relative performance issues. (C) 2006 Elsevier Ltd. All rights reserved.

Simulation of a complete reflected shock tunnel showing a vortex mechanism for flow contamination

Simulations of a complete reflected shock tunnel facility have been performed with the aim of providing a better understanding of the flow through these facilities. In particular, the analysis is focused on the premature contamination of the test flow with the driver gas. The axisymmetric simulations model the full geometry of the shock tunnel and incorporate an iris-based model of the primary diaphragm rupture mechanics, an ideal secondary diaphragm and account for turbulence in the shock tube boundary layer with the Baldwin-Lomax eddy viscosity model. Two operating conditions were examined: one resulting in an over-tailored mode of operation and the other resulting in approximately tailored operation. The accuracy of the simulations is assessed through comparison with experimental measurements of static pressure, pitot pressure and stagnation temperature. It is shown that the widely-accepted driver gas contamination mechanism in which driver gas 'jets' along the walls through action of the bifurcated foot of the reflected shock, does not directly transport the driver gas to the nozzle at these conditions. Instead, driver gas laden vortices are generated by the bifurcated reflected shock. These vortices prevent jetting of the driver gas along the walls and convect driver gas away from the shock tube wall and downstream into the nozzle. Additional vorticity generated by the interaction of the reflected shock and the contact surface enhances the process in the over-tailored case. However, the basic mechanism appears to operate in a similar way for both the over-tailored and the approximately tailored conditions.

Modelling sediment delivery ratio over the Murray Darling Basin

This paper presents a scientific and technical description of the modelling framework and the main results of modelling the long-term average sediment delivery at hillslope to medium-scale catchments over the entire Murray Darling Basin (MDB). A theoretical development that relates long-term averaged sediment delivery to the statistics of rainfall and catchment parameters is presented. The derived flood frequency approach was adapted to investigate the problem of regionalization of the sediment delivery ratio (SDR) across the Basin. SDR, a measure of catchment response to the upland erosion rate, was modeled by two lumped linear stores arranged in series: hillslope transport to the nearest streams and flow routing in the channel network. The theory shows that the ratio of catchment sediment residence time (SRT) to average effective rainfall duration is the most important control in the sediment delivery processes. In this study, catchment SRTs were estimated using travel time for overland flow multiplied by an enlargement factor which is a function of particle size. Rainfall intensity and effective duration statistics were regionalized by using long-term measurements from 195 pluviograph sites within and around the Basin. Finally, the model was implemented across the MDB by using spatially distributed soil, vegetation, topographical and land use properties under Geographic Information System (GIs) environment. The results predict strong variations in SDR from close to 0 in floodplains to 70% in the eastern uplands of the Basin. (c) 2005 Elsevier Ltd. All rights reserved.

Data flow and validation in workflow modelling

A complete workflow specification requires careful integration of many different process characteristics. Decisions must be made as to the definitions of individual activities, their scope, the order of execution that maintains the overall business process logic, the rules governing the discipline of work list scheduling to performers, identification of time constraints and more. The goal of this paper is to address an important issue in workflows modelling and specification, which is data flow, its modelling, specification and validation. Researchers have neglected this dimension of process analysis for some time, mainly focussing on structural considerations with limited verification checks. In this paper, we identify and justify the importance of data modelling in overall workflows specification and verification. We illustrate and define several potential data flow problems that, if not detected prior to workflow deployment may prevent the process from correct execution, execute process on inconsistent data or even lead to process suspension. A discussion on essential requirements of the workflow data model in order to support data validation is also given..

Fibre agglomerate transport in a horizontal flow

An experimental and theoretical study of the transport of mineral wool fibre agglomerates in nuclear power plant containment sumps is being performed. A racetrack channel was devised to provide data for the validation of numerical models, which are intended to model the transport of fibre agglomerates. The racetrack channel provides near uniform and steady conditions that lead to either the sedimentation or suspension of the agglomerates. Various experimental techniques were used to determine the velocity conditions and the distribution of the fibre agglomerates in the channel. The fibre agglomerates are modelled as fluid particles in the Eulerian reference frame. Simulations of pure sedimentation of a known mass and volume of agglomerations show that the transport of the fibre agglomerates can be replicated. The suspension of the fibres is also replicated in the simulations; however, the definition of the fibre agglomerate phase is strongly dependent on the selected density and diameter. Detailed information on the morphology of the fibre agglomerates is lacking for the suspension conditions, as the fibre agglomerates may undergo breakage and erosion. Therefore, ongoing work, which is described here, is being pursued to improve the experimental characterisation of the suspended transport of the fibre agglomerates.

CFD-modeling and experiments of insulation debris transport phenomena in water flow

The investigation of insulation debris generation, transport, and sedimentation becomes more important with regard to reactor safety research for pressurized water reactors and boiling water reactors when considering the long-term behavior of emergency core coolant systems during all types of loss-of-coolant accidents (LOCAs). The insulation debris released near the break during a LOCA incident consists of a mixture of disparate particle populations that varies with size, shape, consistency, and other properties. Some fractions of the released insulation debris can be transported into the reactor sump, where it may perturb/impinge on the emergency core cooling systems. Open questions of generic interest are, for example, the particle load on strainers and corresponding pressure drop, the sedimentation of the insulation debris in a water pool, and its possible resuspension and transport in the sump water flow. A joint research project on such questions is being performed in cooperation with the University of Applied Sciences Zittau/Görlitz. The project deals with the experimental investigation and the development of computational fluid dynamics (CFD) models for the description of particle transport phenomena in coolant flow. While the experiments are performed at the University of Applied Sciences Zittau/Görlitz, the theoretical work is concentrated at Forschungszentrum Dresden-Rossendorf. In the current paper the basic concepts for CFD modeling are described and feasibility studies including the conceptual design of the experiments are presented.

Use of computational fluid dynamics in the design of bubble column reactors

Investigations into the modelling techniques that depict the transport of discrete phases (gas bubbles or solid particles) and model biochemical reactions in a bubble column reactor are discussed here. The mixture model was used to calculate gas-liquid, solid-liquid and gasliquid-solid interactions. Multiphase flow is a difficult phenomenon to capture, particularly in bubble columns where the major driving force is caused by the injection of gas bubbles. The gas bubbles cause a large density difference to occur that results in transient multi-dimensional fluid motion. Standard design procedures do not account for the transient motion, due to the simplifying assumptions of steady plug flow. Computational fluid dynamics (CFD) can assist in expanding the understanding of complex flows in bubble columns by characterising the flow phenomena for many geometrical configurations. Therefore, CFD has a role in the education of chemical and biochemical engineers, providing the examples of flow phenomena that many engineers may not experience, even through experimentation. The performance of the mixture model was investigated for three domains (plane, rectangular and cylindrical) and three flow models (laminar, k-e turbulence and the Reynolds stresses). mThis investigation raised many questions about how gas-liquid interactions are captured numerically. To answer some of these questions the analogy between thermal convection in a cavity and gas-liquid flow in bubble columns was invoked. This involved modelling the buoyant motion of air in a narrow cavity for a number of turbulence schemes. The difference in density was caused by a temperature gradient that acted across the width of the cavity. Multiple vortices were obtained when the Reynolds stresses were utilised with the addition of a basic flow profile after each time step. To implement the three-phase models an alternative mixture model was developed and compared against a commercially available mixture model for three turbulence schemes. The scheme where just the Reynolds stresses model was employed, predicted the transient motion of the fluids quite well for both mixture models. Solid-liquid and then alternative formulations of gas-liquid-solid model were compared against one another. The alternative form of the mixture model was found to perform particularly well for both gas and solid phase transport when calculating two and three-phase flow. The improvement in the solutions obtained was a result of the inclusion of the Reynolds stresses model and differences in the mixture models employed. The differences between the alternative mixture models were found in the volume fraction equation (flux and deviatoric stress tensor terms) and the viscosity formulation for the mixture phase.

Adrenoceptors and intestinal fluid and electrolyte transport in the rat

Noradrenaline was found to significantly stimulate fluid and Na absorption across everted sacs of rat jejunum. Of a number of a1, and 2-adrenoceptor antagonists tested only prazosin significantly inhibited the stimulant effect of noradrenaline and further experiments revealed an antiabsorptive effect of prazosin alone. Theophylline reduced jejunal fluid and Na absorption and this effect was not reversed by 2-adrenoceptor stimulation in contrast to previous findings in vivo. Evidence suggests the everted sac preparation is not appropriate to the study of intestinal fluid and electrolyte transport. The investigation of Jejunal ion transport in vitro was continued using an Ussing chamber preparation. Selective 2-adrenoceptor stimulation was found to depress electrogenic anion secretion, as neurotoxin tetrodotoxin indicated that this was a direct epithelial effect. 2-adrenoceptor agonists have considerable therapeutic value as antisecretory agents and the model of rat jejunum in vitro represents a convenient experimental model for research in this area. The selective 2-adrenoceptor antagonist ICI 118551 decreased basal SCC and inhibited increases in SCC in response to isoprenaline or salbutamol indicating the presence of a 2-adrenoceptor mechanism mediating both secretory tone and increases in secretory processes. Many intestinal secretagogues elicit electrolyte secretion via the stimulation of intramural secretory nervous pathways. If these pathways involve the activation of 2-adrenoceptorsthe 2-adrenoceptor antagonists may be useful in the treatment of diarrhoeal diseases. A single pass lumen perfusion technique was used to investigate possible sympathetic tone over colonic fluid and electrolyte absorption in the rat colon in vivo. The technique employed appeared to lack the necessary resolution for this study and alternative approaches are discussed