Conditional Source-term Estimation (CSE) methods are used to obtain chemical closure in turbulent combustion simulation. A Laminar Flamelet Decomposition (LFD) and then a Trajectory Generated Low-Dimensional Manifold (TGLDM) method are combined with CSE in Reynolds-Averaged Navier Stokes (RANS) simulation of non-premixed autoigniting jets. Despite the scatter observed in the experimental data, the predictions of ignition delay from both methods agree reasonably well with the measurements. The discrepancy between predictions of these two methods can be attributed to different ways of generating libraries that contain information of detailed chemical mechanism. The CSE-TGLDM method is recommended for its seemingly better performance and its ability to transition from autoignition to combustion. The effects of fuel composition and injection parameters on ignition delay are studied using the CSE-TGLDM method. The CSE-TGLDM method is then applied in Large Eddy Simulation of a non-premixed, piloted jet flame, Sandia Flame D. The adiabatic CSE-TGLDM method is extended to include radiation by introducing a variable enthalpy defect to parameterize TGLDM manifolds. The results are compared to the adiabatic computation and the experimental data. The prediction of NO formation is improved, though the predictions of temperature and major products show no significant difference from the adiabatic computation due to the weak radiation of the flame. The scalar fields are then extracted and used to predict the mean spectral radiation intensities of the flame. Finally, the application of CSE in turbulent premixed combustion is explored. A product-based progress variable is chosen for conditioning. Presumed Probability Density Function (PDF) models for the progress variable are studied. A modified version of a laminar flame-based PDF model is proposed, which best captures the distribution of the conditional variable among all PDFs under study. A priori tests are performed with the CSE and presumed PDF models. Reaction rates of turbulent premixed flames are closed and compared to the DNS data. The results are promising, suggesting that chemical closure can be achieved in premixed combustion using the CSE method.

Conditional Source-term Estimation (CSE) methods are used to obtain chemical closure in turbulent combustion simulation. A Laminar Flamelet Decomposition (LFD) and then a Trajectory Generated Low-Dimensional Manifold (TGLDM) method are combined with CSE in Reynolds-Averaged Navier Stokes (RANS) simulation of non-premixed autoigniting jets. Despite the scatter observed in the experimental data, the predictions of ignition delay from both methods agree reasonably well with the measurements. The discrepancy between predictions of these two methods can be attributed to different ways of generating libraries that contain information of detailed chemical mechanism. The CSE-TGLDM method is recommended for its seemingly better performance and its ability to transition from autoignition to combustion. The effects of fuel composition and injection parameters on ignition delay are studied using the CSE-TGLDM method. The CSE-TGLDM method is then applied in Large Eddy Simulation of a non-premixed, piloted jet flame, Sandia Flame D. The adiabatic CSE-TGLDM method is extended to include radiation by introducing a variable enthalpy defect to parameterize TGLDM manifolds. The results are compared to the adiabatic computation and the experimental data. The prediction of NO formation is improved, though the predictions of temperature and major products show no significant difference from the adiabatic computation due to the weak radiation of the flame. The scalar fields are then extracted and used to predict the mean spectral radiation intensities of the flame. Finally, the application of CSE in turbulent premixed combustion is explored. A product-based progress variable is chosen for conditioning. Presumed Probability Density Function (PDF) models for the progress variable are studied. A modified version of a laminar flame-based PDF model is proposed, which best captures the distribution of the conditional variable among all PDFs under study. A priori tests are performed with the CSE and presumed PDF models. Reaction rates of turbulent premixed flames are closed and compared to the DNS data. The results are promising, suggesting that chemical closure can be achieved in premixed combustion using the CSE method.

Conditional Source-term Estimation (CSE) methods are used to obtain chemical closure in turbulent combustion simulation. A Laminar Flamelet Decomposition (LFD) and then a Trajectory Generated Low-Dimensional Manifold (TGLDM) method are combined with CSE in Reynolds-Averaged Navier Stokes (RANS) simulation of non-premixed autoigniting jets. Despite the scatter observed in the experimental data, the predictions of ignition delay from both methods agree reasonably well with the measurements. The discrepancy between predictions of these two methods can be attributed to different ways of generating libraries that contain information of detailed chemical mechanism. The CSE-TGLDM method is recommended for its seemingly better performance and its ability to transition from autoignition to combustion. The effects of fuel composition and injection parameters on ignition delay are studied using the CSE-TGLDM method. The CSE-TGLDM method is then applied in Large Eddy Simulation of a non-premixed, piloted jet flame, Sandia Flame D. The adiabatic CSE-TGLDM method is extended to include radiation by introducing a variable enthalpy defect to parameterize TGLDM manifolds. The results are compared to the adiabatic computation and the experimental data. The prediction of NO formation is improved, though the predictions of temperature and major products show no significant difference from the adiabatic computation due to the weak radiation of the flame. The scalar fields are then extracted and used to predict the mean spectral radiation intensities of the flame. Finally, the application of CSE in turbulent premixed combustion is explored. A product-based progress variable is chosen for conditioning. Presumed Probability Density Function (PDF) models for the progress variable are studied. A modified version of a laminar flame-based PDF model is proposed, which best captures the distribution of the conditional variable among all PDFs under study. A priori tests are performed with the CSE and presumed PDF models. Reaction rates of turbulent premixed flames are closed and compared to the DNS data. The results are promising, suggesting that chemical closure can be achieved in premixed combustion using the CSE method. / Applied Science, Faculty of / Mechanical Engineering, Department of / Graduate

The mechanisms governing the formation and destruction of soot in turbulent combustion are intimately coupled to thermal radiation due to the strong dependence of sooting processes and radiative loss on temperature. Detailed computational fluid dynamics (CFD) predictions of the radiative and soot output from turbulent non-premixed flames are normally performed by parabolic algorithms. However, the modelling of combustion systems, such as furnaces and unwanted enclosure fires, often require a fully elliptic description of the flow field and its related physical phenomena. Thus, this thesis investigates the intimate coupling between radiative energy exchange and the mechanisms governing soot formation and destruction within a three-dimensional, general curvilinear CFD code. Thermal radiation is modelled by the discrete transfer radiation model (DTRM). Special emphasis is given to approximate solutions to the radiative transfer equation encompassing various models for the radiative properties of gases and soot. A new algorithm is presented, entitled the differential total absorptivity (DTA) solution, which, unlike alternative solutions, incorporates the source temperature dependence of absorption. Additionally, a weighted sum of gray gases (WSGG) solution is described which includes the treatment of gray boundaries. Whilst the DTA solution is particularly recommended for systems comprising large temperature differences, the WSGG solution is deemed most appropriate for numerical simulation of lower temperature diffusion flames, due to its significant time advantage. The coupling between radiative loss and soot concentration is investigated via a multiple laminar flamelet concept applied within the CFD simulation of confined turbulent diffusion flames burning methane in air at 1 and 3 atm. Flamelet families are employed relating individual sooting mechanisms to the level of radiative loss, which is evaluated by the DTRM formulated for emitting-absorbing mixtures of soot, C02 and H20. Combustion heat release is described by an eddy break-up concept linked to the k-c turbulence model, whilst temperature is evaluated from the solved enthalpy field. Detailed comparisons between prediction and experiment for the critical properties of mixture fraction, temperature and soot volume fraction demonstrate the effectiveness of this novel, coupled strategy within an elliptic flow field calculation.

The probability density function (PDF) approach is a powerful technique for large eddy simulation (LES) based modeling of turbulent reacting flows. In this approach, the joint-PDF of all reacting scalars is estimated by solving a PDF transport equation, thus providing detailed information about small-scale correlations between these quantities. The objective of this work is to further develop the LES/PDF approach for studying flame stabilization in supersonic combustors, and for soot modeling in turbulent flames. Supersonic combustors are characterized by strong shock-turbulence interactions which preclude the application of conventional Lagrangian stochastic methods for solving the PDF transport equation. A viable alternative is provided by quadrature based methods which are deterministic and Eulerian. In this work, it is first demonstrated that the numerical errors associated with LES require special care in the development of PDF solution algorithms. The direct quadrature method of moments (DQMOM) is one quadrature-based approach developed for supersonic combustion modeling. This approach is shown to generate inconsistent evolution of the scalar moments. Further, gradient-based source terms that appear in the DQMOM transport equations are severely underpredicted in LES leading to artificial mixing of fuel and oxidizer. To overcome these numerical issues, a new approach called semi-discrete quadrature method of moments (SeQMOM) is formulated. The performance of the new technique is compared with the DQMOM approach in canonical flow configurations as well as a three-dimensional supersonic cavity stabilized flame configuration. The SeQMOM approach is shown to predict subfilter statistics accurately compared to the DQMOM approach. For soot modeling in turbulent flows, an LES/PDF approach is integrated with detailed models for soot formation and growth. The PDF approach directly evolves the joint statistics of the gas-phase scalars and a set of moments of the soot number density function. This LES/PDF approach is then used to simulate a turbulent natural gas flame. A Lagrangian method formulated in cylindrical coordinates solves the high dimensional PDF transport equation and is coupled to an Eulerian LES solver. The LES/PDF simulations show that soot formation is highly intermittent and is always restricted to the fuel-rich region of the flow. The PDF of soot moments has a wide spread leading to a large subfilter variance. Further, the conditional statistics of soot moments conditioned on mixture fraction and reaction progress variable show strong correlation between the gas phase composition and soot moments. / text

This thesis aims at improving our knowledge on swirl combustors. The work presented here is based on Large Eddy Simulations (LES) coupled to an advanced combustion model: the Conditional Moment Closure (CMC). Numerical predictions have been systematically compared and validated with detailed experimental datasets. In order to analyze further the physics underlying the large numerical datasets, Proper Orthogonal Decomposition (POD) has also been used throughout the thesis. Various aspects of the aerodynamics of swirling flames are investigated, such as precession or vortex formation caused by flow oscillations, as well as various combustion aspects such as localized extinctions and flame lift-off. All the above affect flame stabilization in different ways and are explored through focused simulations. The first study investigates isothermal air flows behind an enclosed bluff body, with the incoming flow being pulsated. These flows have strong similarities to flows found in combustors experiencing self-excited oscillations and can therefore be considered as canonical problems. At high enough forcing frequencies, double ring vortices are shed from the air pipe exit. Various harmonics of the pulsating frequency are observed in the spectra and their relation with the vortex shedding is investigated through POD. The second study explores the structure of the Delft III piloted turbulent non-premixed flame. The simple configuration allows to analyze further key combustion aspects of combustors, with further insights provided on the dynamics of localized extinctions and re-ignition, as well as the pollutants emissions. The third study presents a comprehensive analysis of the aerodynamics of swirl flows based on the TECFLAM confined non-premixed S09c configuration. A periodic component inside the air inlet pipe and around the central bluff body is observed, for both the inert and reactive flows. POD shows that these flow oscillations are due to single and double helical vortices, similar to Precessing Vortex Cores (PVC), that develop inside the air inlet pipe and whose axes rotate around the burner. The combustion process is found to affect the swirl flow aerodynamics. Finally, the fourth study investigates the TECFLAM configuration again, but here attention is given to the flame lift-off evident in experiments and reproduced by the LES-CMC formulation. The stabilization process and the pollutants emission of the flame are investigated in detail.