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The thesis presents work across three different subjects of investigations into the modelling of spray development and its interaction with non-reactive and reactive flow. The first part of this research is aimed to create a new and robust family of convective scheme to capture the interface between the dispersed and the carrier phases without the need to build up the interface boundary. The selection of Weighted Average Flux (WAF) scheme is due to this scheme being designed to deal with random flux scheme which is second-order accurate in space and time. The convective flux in each cell face utilizes the WAF scheme blended with Switching Technique for Advection and Capturing of Surfaces (STACS) scheme for high resolution flux limiters. However in the next step, the high resolution scheme is blended with the scheme to provide the sharpness and boundedness of the interface by using switching strategy. The proposed scheme is tested on capturing the spray edges in modelling hollow cone type sprays without need to reconstruct two-phase interface. A test comparison between TVD scheme and WAF scheme using the same flux limiter on convective flow on hollow cone spray is presented. Results show that the WAF scheme gives better prediction than the TVD scheme. The only way to check the accuracy of the presented models are evaluations according to physical droplets behaviour and its interaction with air. In the second part, due to the effect of evaporation the temperature profile in the released fuel vapour has been proposed. The underlying equation utilizes transported vapour mass fraction. It can be used along with the solution of heat transfer inside a sphere. After applying boundary conditions, the equation can provide a solution of existing conditions at liquid-gas interface undergoing evaporation and it is put in a form similar to well-known one-third rule equation. The resulting equation is quadratic type that gives an accurate prediction for the thermo-physical properties due to the non-linear relation between measured properties and temperature. Comparisons are made with one-third rule where both equations are implemented in simulating hollow cone spray under evaporation conditions. The results show the presumed equation performs better than one-third rule in all comparisons. The third part of this research is about a conceptual model for turbulent spray combustion for two combustion regimes that has been proposed and tested for n-heptane solid cone spray type injected into a high-pressure, high-temperature open reactor by comparing to the available experimental data and to results obtained using two well known combustion models named the Combined Combustion Model (CCM) and the unsteady two-dimensional conditional moment closure (CMC) model. A single-zone intermittent beta-two equation turbulent model is suggested to characterise the Lumped zone. This model can handle both unburned and burned zones. Intermittency theory is used to account for the spatially non-uniform distribution of viscous dissipation. The model suggests that the Lumped zone can be identified by using the concept of Tennekes and Kuo-Corrsion of isotropic turbulence that suggests that dissipative eddies are most probably formed as vortex tubes with a diameter of the order of Kolmogorov length scale and a space of the order of Taylor length scale. Due to the complexity of mixture motion in the combustion chamber, there exist coherent turbulent small scale structures containing highly dissipative vortices. The small size eddies play an important role in extinguishing a diffusion spray flame and have an effect on the combustion reaction at molecular scale because small scales turbulence increase heat transfer due to the dissipation. A common hypothesis in constructing part of the model is if the Kolmogorov length scale is larger than the turbulent flame thickness. The Lumped strategy benefits from capturing small reactive scales information provided by numerics to improve the modelling and understand the exact implementation of the underlying chemical hypothesis. The Lumped rate is estimated from the ratio of the turbulent diffusion to reaction flame thickness. Three different initial gas temperature test cases are implemented in simulations. Lumped spray combustion model shows a very good agreement with available experimental data concerning auto-ignition delay points.

This work concerns the modelling of scenarios for a residential hydrogen refuelling system. Such a system is under construction within the Engineering Safe and Compact Hydrogen Energy Reserves (ESCHER) project. Non-reacting and reacting simulations are compared against experimental data before being applied to a residential garage scenario. The non-reacting simulations utilise natural ventilation, which utilises the natural buoyancy of hydrogen and vent locations to disperse flammable mixtures. This is favoured over mechanical ventilation, which could fail. The non-reacting work focuses on investigating the most suitable venting configuration for a release of hydrogen from a refuelling system located within a residential garage. Different vent configurations are examined initially before proceeding to take into account atmospheric conditions, wind, and the presence of a vehicle for the two best venting configurations. This is to determine the venting configuration that would diminish the accumulation of a flammable mixture, as well as dissipating the mixture quickest after the release has stopped. The modelling strategy utilised for this work is validated against two different sets of experimental data, prior to the investigation into residential garages. The predicted and experimental results show good agreement for the modelling procedure suggested. The reacting investigations are for both premixed and non-premixed combustion. The non-premixed combustion investigates the temperature distributions and as such the possible harm to people for such a scenario, compared against experimental data. The results show some over predictions of the temperatures. The premixed combustion investigates the potential overpressures that may occur if a homogeneous mixture was to form and ignite, within a residential garage. This work is preceded by a validation of the combustion model with the predicted results compared to data from The University of Sydney. The validation results show that the modelling strategy matches the peak overpressures accurately. The non-reacting studies show that having a lower vent opposite the release and an higher vent near the release produces the smallest flammable mixture as well as dissipating the mixture to the external surroundings quickest. The non-premixed reacting work shows good agreement with experimental results. The premixed reacting work shows that the garage would destruct with major consequences to people and surroundings. This work would be applicable to any potential usage of indoor refuelling for hydrogen vehicles, helping to determine a suitable configuration for mitigating hydrogen releases. It should be noted that all such work is geometrically dependent and as such the strategy proposed would be useful for investigating individual scenarios.

This thesis seeks to bring together advances in control theory, modelling and controller hardware and apply them to automotive powertrains. Automotive powertrain control is dominated by PID controllers, look-up tables and their derivatives. These controllers have been constantly refined over the last two decades and now perform acceptably well. However, they are now becoming excessively complicated and time consuming to calibrate. At the same time the industry faces ever increasing pressure to improve fuel consumption, reduce emissions and provide driver responsiveness. The challenge is to apply more sophisticated control approaches which address these issues and at the same time are intuitive and straightforward to tune for good performance by calibration engineers. This research is based on a combustion model which, whilst simplified, facilitates an accurate estimate of the harmful NO_x and soot emissions. The combustion model combines a representation of the fuel spray and mixing with charge air to give a time varying distribution of in-cylinder air and fuel mixture which is used to calculate flame temperatures and the subsequent emissions. A combustion controller was developed, initially in simulation, using the combustion model to minimise emissions during transient manoeuvres. The control approach was implemented on an FPGA exploiting parallel computations that allow the algorithm to run in real-time. The FPGA was integrated into a test vehicle and tested over a number of standard test cycles demonstrating that the combustion controller can be used to reduce NO_x emissions by over 10% during the US06 test cycle. A further use of the combustion model was in the optimisation of fuel injection parameters to minimise fuel consumption, whilst delivering the required torque and respecting constraints on cylinder pressure (to preserve engine integrity) and rate of increase in cylinder pressure (to reduce noise).

A new quasi-dimensional, multi-zone model has been developed to describe the combustion processes occurring inside a dual fuel engine. A dual fuel engine is a compression ignition engine in which a homogeneous lean premixed charge of gaseous fuel and air is ignited by a pilot fuel spray. The atomisation and preparation of the pilot leads to the formation of multiple ignition centres from which turbulent flame fronts develop. The energy release in a dual fuel engine is therefore a combination of that from the combustion of the pilot fuel spray and lean premixed charge. Hence, the dual fuel combustion process is complex, combining elements of both conventional spark and compression ignition engines. The dual fuel engine is beneficial as it can achieve significant reductions in emissions of carbon dioxide (CO2), as well as reducing emissions of oxides of nitrogen (NOx) and particulate matter (PM).

Engine manufacturers are constantly seeking avenues to build cleaner and more ef cient engines to meet ever increasing stringent emission legislations. This requires a closer under- standing of the in-cylinder physical and chemical processes, which can be obtained either through experiments or simulations. The advent of computational hardware, methodologies and modelling approaches in recent times make computational uid dynamics (CFD) an important and cost-effective tool for gathering required insights on the in-cylinder ow, combustion and their interactions. Traditional Reynolds-Averaged Navier-Stokes (RANS) methods and emerging Large Eddy Simulation (LES) techniques are being used as a reli- able mathematical framework tools for the prediction of turbulent ow in such conditions. Nonetheless, the combustion submodels commonly used in combustion calculations are developed using insights and results obtained for atmospheric conditions. However, The combustion characteristics and its interaction with turbulence at Internal combustion (IC) engine conditions with, high pressure and temperatures can be quite different from those in conventional conditions and are yet to be investigated in detail. The objective here is to apply FlaRe (Flamelets revised for physical consistencies) model for IC engines conditions and assess its performance. This model was developed in earlier studies for continuous combustion systems. It is well accepted that the laminar burning velocity, SL, is an essential parameter to determine the fuel burn rate and consequently the power output and ef ciency of IC engines. Also, it is involved in almost all of the sophisticated turbulent combustion models for premixed and partially premixed charges. The burning velocities of these mixtures at temperatures of 850 ≤ T ≤ 950 decrease with pressure up to about 3 MPa as it is well known, but it starts to increase beyond this pressure. This contrasting behaviour observed for the rst time is explained and it is related to the role of pressure dependent reaction for iso-octane and involving OH and the in uence of this radical on the fuel consumption rate. The results iv seem to suggest that the overall order of the combustion reaction for iso-octane and gasoline mixture with air is larger than 2 at pressures higher than 3 MPa. The FlaRe combustion is used to simulate premixed combustion inside a spark-ignition engine. The predictive capabilities of the proposed approach and sensitivity of the model to various parameters have been studied. FlaRe approach includes a parameter βc representing the effects of ame curvature on the burning rate. Since the reactant temperature and pressure inside the cylinder are continually varying with time, the mutual in uence of ame curvature and thermo-chemical activities may be stronger in IC engines and thus this parameter is less likely to be constant. The sensitivity of engine simulation results to this parameter is investigated for a range of engine speed and load conditions. The results indicate some sensitivity and so a careful calibration of this parameter is required for URANS calculation which can be avoided using dynamic evaluations for LES. The predicted pressure variations show fair agreement with those obtained using the level-set approach. DNS data of a hydrogen air turbulent premixed ame in a rectangular constant volume vessel has been analysed to see the effect of higher pressure and temperature on the curvature parameter βc. Since the reactant temperature and pressure inside the cylinder are continually varying with time, the mutual in uence of ame curvature and thermo-chemical activities are expected to be stronger in IC engines and thus the parameter βc may not be constant. To shed more light on this, two time steps from the DNS data has been analysed using dynamic βc procedure. The results show that the effect of higher pressure and temperature need to be considered and taken into account while evaluating βc. When combustion takes place inside a closed vessel as in an IC engine the compression of the un-burnt gases by the propagating ame causes the pressure to rise. In the nal part of this thesis, the FlaRe combustion model is implemented in a commercial computational uid dynamics (CFD) code, STAR-CD, in the LES framework to study swirling combustion inside a closed vessel. Different values of βc has been tested and the need for dynamic evaluation is observed.

Stationary gas turbines manufacturers and operators are under constant scrutiny to both reduce environmentally harmful emissions and obtain efficient combustion. Numerical simulations have become an integral part of the development and optimisation of gas turbine combustors. In this thesis work, the gas turbine combustion process is analysed in two parts, a study on air-fuel mixing and turbulent combustion. For computational fluid dynamic analysis work the open-source CFD code OpenFOAM and STAR-CCM+ are used. A fuel jet injected to cross-flowing air flow is simplified air-fuel mixing arrangement, and this problem is analysed numerically in the first part of the thesis using both Reynolds Averaged Navier Stokes (RANS) method and Large Eddy Simulation (LES) methods. Several turbulence models are compared against experimental data in this work, and the complex turbulent vortex structures their effect on mixing field prediction is observed. Furthermore, the numerical methods are extended to study twin jets in cross-flow interaction which is relevant in predicting air-fuel mixing with arrays of fuel injection nozzles. LES methods showed good results by resolving the complex turbulent structures, and the interaction of two jets is also visualised. In this work, all three turbulent combustion regimes non-premixed, premixed, partially premixed are modelled using different combustion models. Hydrogen blended fuels have drawn particular interest recently due to enhanced flame stabilisation, reduced CO2 emissions, and is an alternative method to store energy from renewable energy sources. Therefore, the well known Sydney swirl flame which uses CH4: H2 blended fuel mixture is modelled using the steady laminar flamelet model. This flame has been found challenging to model numerically by previous researchers, and in this work, this problem has been addressed with improved combustion modelling approach with tabulated chemistry. Recognizing that the current and future gas turbine combustors operate on a mixed combustion regime during its full operational cycle, combustion simulations of premixed/partially premixed flames are also performed in this thesis work. Dynamical artificially thickened flame model is implemented in OpenFOAM and validated using propagating and stationary premixed flames. Flamelet Generated Manifold (FGM) methods are used in the modelling of turbulent stratified flames which is a relatively new field of under investigation, and both experimental and numerical analysis is required to understand the physics. The recent experiments of the Cambridge stratified burner are studied using the FGM method in this thesis work, and good agreement is obtained for mixing field and temperature field predictions.

The goal of the present work was to identify and implement modifications to a density-based unstructured RANS CFD algorithm, as typically used in turbomachinery flows (represented here via the RoIIs-Royce 'Hydra' code), for application to Iow Mach number gas-turbine combustor flows. The basic algorithm was modified to make it suitable for combustor relevant problems. Fixed velocity and centreline boundary conditions were added using a characteristic based method. Conserved scalar mean and variance transport equations were introduced to predict scalar mixing in reacting flows. Finally, a flarnelet thermochemistry model for turbulent non-premixed combustion with an assumed shape pdf for turbulence-chemistry interaction was incorporated. A method was identified whereby the temperature/ density provided by the combustion model was coupled directly back into the momentum equations rather than from the energy equation. Three different test cases were used to validate the numerical capabilities of the modified code, for isothermal and reacting flows on different grid types. The first case was the jet in confined cross flow associated with combustor liner-dilution jetcore flow interaction. The second was the swirling flow through a multi-stream swirler. These cases represent the main aerodynamic features of combustor primary zones. The third case was a methane-fueled coaxial jet combustor to assess the combustion model implementation. This study revealed that, via appropriate modifications, an unstructured density-based approach can be utilised to simulate combustor flows. It also demonstrated that unstructured meshes employing nonhexahedral elements were inefficient at accurate capture of flow processes in regions combining rapid mixing and strong convection at angles to cell edges. The final version of the algorithm demonstrated that low Mach RANS reacting flow simulations, commonly performed using a pressure-based approach, can successfully be reproduced using a density-based approach.

This thesis describes the development and validation of a modified eddy viscosity model to take into account the misalignment between stress a_{ij} and strain S_{ij} fields for reacting flow. The stress-strain misalignment is quantified by introducing a C_{as}=-a_{ij}S_{ij} /\sqrt{2S_{ij}S_{ij}} parameter. A new transport equation for C_{as} was derived from a full Reynolds stress model (RSM). The C_{as} transport equation was coupled to a standard EVM model (e.g. k-\omega SST) to form three equations model. This model is a new version of the SST-C_{as} model introduced by Revell (Revell2006), to incorporate buoyancy and combustion effects for buoyant reacting flow (e.g. fire). The performance of the proposed model was initially investigated via non-reacting buoyant plumes with different level of unsteadiness. The buoyant plumes were also simulated using different turbulence models and the results were compared to proposed model and experimental data. The model shows significant improvements for velocity and scalar profiles in region closed to plume centreline compared to the original SST model. The SST-C_{as} model was then applied for a real fire test case (Steckler room), and the results were compared to experimental data and results of RSM models. The SST-C_{as} model generally yields better than classical EVM models and reduces the gap between the RSM and EVM prediction with 25-30\% additional computational expenses. This work is still under development and validation for reacting flows, further work is going on to include the turbulence combustion interaction and validate it with DNS data.