Search

The goal of mitigating climate change has driven research to the use of carbon-free energy sources. In this regards, green hydrogen appears as one of the best options, however, its storage remains difficult and expensive. Indeed, there is room to consider the use of ammonia (an efficient hydrogen carrier) directly as a fuel for internal combustion engines or gas turbines. Currently, there are very few works in the literature describing liquid ammonia sprays, both from experimental and modeling point of view, and especially dealing with flash-boiling conditions. In this research work, the direct injection ammonia spray is modeled with the Lagrangian particle approach, building up a numerical model within the OpenFOAM framework, for transient analyses using the U-RANS approach. An evaluation of main spray modeling parameters is carried out to build a predictive Lagrangian model for ammonia based on the comparison with experiments in terms of liquid and vapor tip penetration, local values of Sauter mean diameter and global spray morphology. In this work, results of CFD simulations of ammonia spray and the comparison with experimental data are presented for different conditions, aiming to present a comparison between flash boiling and non-flashing regimes.

Multi-cycle large-eddy simulations (LES) are performed to investigate combustion cycle-to-cycle variability (CCV) in a gasoline spark ignited optical access engine operating under homogeneous stoichiometric conditions. Combustion is addressed with the Thickened Flame Model (TFM) and finite rate chemistry is accounted for through a reduced oxidation reaction mechanism. In view of the fact that computational costs of LES engine simulations are still very high today, this work investigates the use of adaptive mesh refinement (AMR) in the flame zone in conjunction with the artificial flame thickening applied by the TFM model. The paper discusses how the resulting coupled TFM-AMR combustion model allows good resolution of the flame, maintaining accuracy at acceptable costs. First, the details of the coupled model are presented and the effects of the parameters are explored, highlighting their impact on the combustion prediction. Then, computational fluid dynamics (CFD) simulation results are validated against experimental data collected in a low-speed low-load engine point, by comparing 20 LES cycles and 100 measured cycles, for mass fraction burned, combustion phasing, flame images and CCV indices. Lastly, a detailed investigation on the fastest and slowest numerical cycles is presented, analyzing instantaneous flame structures, ignition behaviors, propagation speeds, and probability density function (PDF) of the instantaneous velocity fluctuation around the spark region. The results show that combustion variability is highly correlated to the resolved velocity field and the resolved turbulence intensity, which is found to be the main cause of CCV and affects the early flame kernel growth. This work is an early attempt to use TFM-AMR combustion model for LES simulations of internal combustion engines.

Dust explosions are among the most hazardous accidents affecting industrial facilities processing particulate solids. Describing the severity parameters of dust clouds is critical to the safety management and risk assessment of dust explosions. These parameters are determined experimentally in a 20 L spherical vessel, following the ASTM E1226 or UNE 14034 standards. Since their reproducibility depends on the levels of turbulence associated with the dust cloud, a computational model of the multi-phase (gas-solid) flow is used to simulate the dispersion process with the open-source CFD code OpenFOAM. The model is successfully validated against experimental measurements from the literature and numerical results of a commercial CFD code. In addition, this study considers the impact of particle size on the turbulence of the carrier phase, suggesting that particles attenuate its turbulence intensity. Moreover, the model predicts well the formation of a two-vortex flow pattern, which has a negative impact on the distribution of the particle-laden flows with dp≤ 100 μm, as most of the particles concentrate at the near-wall region. Contrarily, an improved homogeneity of dust cloud is observed for a case fed with larger particles (dp= 200 μm), as the increased inertia of these particles allows them to enter into the re-circulation regions.

The efficiency and combustion performance of propulsion systems, like internal combustion (IC) engines and gas turbines, is known to be related to the performance of the fuel and air mixing process. Operating conditions and fuels are rapidly changing, therefore new CFD models which accurately accounts for all physical aspects, still maintaining a simple framework, are extremely important. In this work we consider the drift velocity contribution, which often is overlooked or neglected, defined as the velocity of the dispersed phase relative to the mixture volumetric mean velocity in a single fluid formulation, a key variable in two-phase mixture model. Water test cases are here considered for the study. The present work investigates the structure and the droplet velocity field of a plain liquid jet injected into a high-pressure air crossflow. Because of the large scale separation between the small features of the interface and the overall jet we use the diffuse-interface treatment in a single-fluid Eulerian framework. A Σ- Y family model is implemented in the OpenFOAM framework which includes liquid diffusion due to drift-flux velocities and a new formulation of the spray atomization. The main objective is to explore the droplet velocity distribution and the jet structure with and without considering the drift flux correction and compare the related results with the experimental data.

Modeling of spray in a dense near-nozzle region remains a great challenge, because of the large scale separation between the small features of the interface and the overall jet. Diffuse-interface treatment in a single-fluid Eulerian framework, in which the interfacial surface area density ( Σ ) is used to describe the atomization process, has attracted interest for its potential in providing a manageable and still accurate model. In this work, we propose a new formulation of the Σ -Y spray atomization model that accounts for liquid diffusion due to drift-flux velocities, correctly predicting the behavior under all relevant engine conditions. Additionally, the present formulation allows the interfacial dynamics to impact the transport of the liquid mass fraction, thus making the interfacial density an active scalar fully coupled with the rest of the flow, overcoming limitations of previous formulations. The new model is implemented in the OpenFOAM framework and validated against experimental measurements under non-vaporizing and vaporizing environments, and at reacting conditions.

In the present numerical study, implicit large eddy simulations (LES) of non-reacting multi-components mixing processes of cryogenic nitrogen and n-dodecane fuel injections under transcritical and supercritical conditions are carried out, using a modified reacting flow solver, originally available in the open source software OpenFOAM®. To this end, the Peng-Robinson (PR) cubic equation of state (EOS) is considered and the solver is modified to account for the real-fluid thermodynamics. At high pressure conditions, the variable transport properties such as dynamic viscosity and thermal conductivity are accurately computed using the Chung transport model. To deal with the multicomponent species mixing, molar averaged homogeneous classical mixing rules are used. For the velocity-pressure coupling, a PIMPLE based compressible algorithm is employed. For both cryogenic and non-cryogenic fuel injections, qualitative and quantitative analyses are performed, and the results show significant effects of the chamber pressure on the mixing processes and entrainment rates. The capability of the proposed numerical model to handle multicomponent species mixing with real-fluid thermophysical properties is demonstrated, in both supercritical and transcritical regimes.

[EN] Diesel spray modeling is a multi-scale problem with complex interactions between different flow regions, that is, internal nozzle flow, near-nozzle region and developed spray, including evaporation and combustion. There are several modeling approaches that have proven particularly useful for some spray regions although they have struggled at other areas, while Eulerian modeling has shown promise in dealing with all characteristics at a reasonable computational effort for engineering calculations. In this work, the sigma -Y single-fluid diffuse-interface model, based on scale separation assumptions at high Reynolds and Weber numbers, is used to simulate the engine combustion network Sprays A and D within a Reynolds-averaged Navier-Stokes turbulence modeling approach. The study is divided into two parts. First of all, the larger diameter Spray D is modeled from the nozzle flow till evaporative spray conditions, obtaining successful prediction of numerous spray metrics, paying special attention to the near-nozzle region where spray dispersion and interfacial surface area can be validated against measurements conducted at the Advanced Photon Source at Argonne National Laboratory, including both the ultra-small-angle X-ray scattering and the X-ray radiography. Afterwards, an analysis of the modeling predictions is made in comparison with previous results obtained for Spray A, considering the nozzle geometry effects in the modeling behavior., The authors thank the freely shared X-ray radiography and ultra-small-angle X-ray scattering measurements performed at Argonne National Laboratory by the following authors: Daniel J. Duke, Jan Ilavsky, Katarzyna E. Matusik., Brandon A. Sforzo., Alan L. Kastengren and Christopher F. Powell. They also thankfully acknowledge the computer resources at Picasso and the technical support provided by Universidad de Malaga (UMA; RES-FI-2018-1-0039).

[EN] Engine fuel spray modeling still remains a challenge, especially in the dense near-nozzle region. This region is difficult to experimentally access and also to model due to the complex and rapid liquid and gas interaction. Modeling approaches based on Lagrangian particle tracking have failed in this area, while Eulerian modeling has proven to be particularly useful. Interface resolved methods are still limited to primary atomization academic configurations due to excessive computational requirements. To overcome those limitations, the single-fluid diffuse interface model known as Sigma-Y, arises as a single-framework for spray simulations. Under the assumption of scale separation at high Reynolds and Weber numbers, liquid dispersion is modeled as turbulent mixing of a variable density flow. The concept of surface area density is used for representing liquid structures, regardless of the complexity of the interface. In this work, a LES based implementation of the Sigma-Y model in the OpenFOAM CFD library is applied to simulate the ECN Spray A configuration. Model assessment is performed for both near- and far-field spray development regions using different experimental diagnostics available from ECN database. The CFD model is able to capture near-nozzle fuel mass distribution and, after Sigma equation constant calibration, interfacial surface area. Accurate predictions of spray far-field evolution in terms of liquid and vapor tip penetration and local velocity can be simultaneously achieved. Model accuracy is lower when compared to mixture fraction axial evolution, despite radial distribution profiles are well captured., This work was partially funded by the Spanish Ministerio de Economia y Competitividad within the frame of the CHEST (TRA2017-89139-C2-1-R) project. The computations were partially performed on the Tirant III cluster of the Servei d'Informatica of the University of Valencia (vlc38-FI-2018-2-0006). Authors acknowledge the computer resources at Picasso and the technical support provided by Universidad de Malaga (UMA) (RES-FI-2018-1-0039).

[EN] An implementation and validation of the coupled Sigma-gamma ADF model is presented in this work for reacting Diesel spray CFD simulations under a RANS turbulence modeling approach. An Approximated Diffusion Flamelet (ADF) model Michel et al. (2008) implemented in the OpenFOAM CFD open-source library by Winklinger (2014)15 fed with the spray description, i.e. mixing formation process, provided by the Sigma-gamma Eulerian atomization model Garcia-Oliver et al. (2013). In the present investigation, the Engine Combustion Network Spray A reference configuration is used for validation. Specifically, the model can provide accurate predictions of typical reacting spray metrics, such as the ignition delay and the lift-off length. Moreover, the internal structure is also fairly reproduced in terms of quasi-steady spatial distribution of formaldehyde and OH, related with low and high temperature reactions respectively. Additionally, modeling results have been compared to recent Particle image velocimetry (PIV) measurements Garcia-Oliver et al. (2017) under both inert and reacting conditions. Flow response to heat release is quantitatively predicted by the model, both in terms of local velocity increase as well as radial dilation. The model has been used to understand combustion-induced reduction in entrainment, in particular around the lift-off length location. Flow confinement does not seem to influence the global flame behaviour, even though some changes in the local flow hint can be observed when moving from an open to a closed domain. (C) 2017 Elsevier Ltd. All rights reserved., Authors acknowledge that this work was possible thanks to the Programa de Ayudas de Investigation y Desarrollo (PAID-2013 3198) of the Universitat Politecnica de Valencia. Also this study was partially funded by the Spanish Ministry of Economy and Competitiveness in the frame of the COMEFF(TRA2014-59483-R) project. Authors thank Gilles Bruneaux from IFPEN for the interesting suggestions and discussions.

[EN] This work evaluates the performance of the Sigma-Y Eulerian atomization model at reproducing the internal structure of a diesel spray with a special focus on Sauter Mean Diameter (SMD) predictions. Modeling results have been compared to x-ray radiography measurements [21,24,38] which provided unique data within dense spray region. The first step corresponds to accurately reproduce the large scale spray dispersion. Among different RANS turbulence models, the standard k-s with the round jet corrected CIE value (1.60), has shown the best performance, as shown in [12]. Then, the study is devoted to the application and optimization of the predicted interphase surface density (E). In this work, a combination of CFD modeling and the statistical Design of Experiments (DOE) technique known as Response Surface Method (RSM) is applied in order to improve Sauter Mean Diameter (SMD) predictions from E equation compared to experimental measurements. In the investigation, two different optimizations are conducted for the three modeling parameters involved in the equation, following a Central Composite Design (CCD), leading to 15 simulations for each one. After that, both optimum sets of values are validated to assure the accuracy of the method and it is decided the best choice. Finally, different injection and ambient conditions are simulated, with those selected values, providing a remarkable improvement in the modeling performance., Authors acknowledge that part of this work was possible thanks to the Programa de Ayudas de Investigacion y Desarrollo (PAID 2013 3198) of the Universitat Politecnica de Valencia. Also this study was partially funded by the Spanish Ministry of Economy and Competitiveness in the frame of the COMEFF (TRA2014-59483R) project.

[EN] A comparison between the Σ-Y atomization model and a classical DDM approach has been carried out for diesel spray CFD simulations. The Σ-Y model, originally proposed by Vallet and Borghi (1999), is based on an Eulerian representation of the spray atomization and dispersion by means of a single-fluid variable density turbulent flow. The locally homogeneous flow approach has been applied in order to develop a spray vaporization model based on state relationships. A finite-volume solver for model equations has been created using the OpenFOAM CFD open-source C++ library (GarcíaOliver et al., 2013). In the case of the Lagrangian-DDM approach, the original dieselFoam solver of OpenFOAM is used. Model predictions have been compared to experimental measurements of free diesel sprays under vaporizing conditions from the database of the Engine Combustion Network (ECN). Accurate predictions of liquid and vapor spray penetration, as well as mixture fraction can be achieved for the nominal condition with both models, although DDM simulations tend to be less accurate. Additionally, near nozzle flow structure of the Spray A condition of ECN is also studied with both models. The conclusion is a more accurate prediction of the near-field internal structure of the spray in the case of the Eulerian model, due to both a higher mesh resolution and a more adequate modelling approach. Consequently, results shown in this work put in evidence the benefits of using an Eulerian model to predict qualitatively and accurately the diesel spray behaviour under different ambient conditions and injection pressures., Part of this work was possible thanks to the Programa de Ayudas de Investigacion y Desarrollo (PAID-2013) of the Universitat Polite`cnica de València. Also,we thank the collaboration of I. Garc´ıa Ayala and R. Redon Moreno, students of final degree project (PFC) at the Universitat Politècnica de València

[EN] Diesel spray modelling still remains a challenge, especially in the dense near-nozzle region. This region is difficult to experimentally access and also to model due to the complex and rapid liquid and gas interaction. Modelling approaches based on Lagrangian particle tracking have struggled in this area, while Eulerian modelling has proven particularly useful. An interesting approach is the single-fluid diffuse interface model known as Σ-Y, based on scale separation assumptions at high Reynolds and Weber numbers. Liquid dispersion is modelled as turbulent mixing of a variable density flow. The concept of surface area density is used for representing liquid structures, regardless of the complexity of the interface. In this work, an implementation of the Σ-Y model in the OpenFOAM CFD library is applied to simulate the ECN Spray A in the near nozzle region, using both RANS and LES turbulence modelling. Assessment is performed with measurements conducted at the Advanced Photon Source at Argonne National Laboratory (ANL). The ultra-smallangle x-ray scattering (USAXS) technique has been used to measure the interfacial surface area, and x-ray radiography to measure the fuel dispersion, allowing a direct evaluation of the Σ-Y model predictions., Authors acknowledge that part of this work was partially funded by the Spanish Ministry of Economy and Competitiveness in the frame of the COMEFF (TRA2014-59483-R) project. Parts of this research were performed at the 7-BM and 9-ID beam lines of the Advanced Photon Source at Argonne National Laboratory. Use of the APS is supported by the U.S. Department of Energy (DOE) under Contract No. DEAC02-06CH11357. The research was partially funded by DOE's Vehicle Technologies Program, Office of Energy Efficiency and Renewable Energy. The authors would like to thank Team Leaders Gurpreet Singh and Leo Breton for their support of this work

Despite great practical interest in how sprays emanate from fuel injectors, the near-nozzle region has remained a challenge for spray modelers. Recently, Eulerian models have shown promise in capturing the fast gas-liquid interactions in the near field. However, with the inclusion of compressibility, it can be difficult to maintain consistency between the hydrodynamic and thermodynamic variables. In order to resolve numerical inconsistencies that occur in segregated solutions of Eulerian spray model equations as well as to provide good scalability and stability, a new construction of a -Y model is introduced. This construction is built around an IMEX-RK3 algorithm which offers accuracy and efficiency. The new algorithm is compared to an existing implementation for speed and is validated against experimental measurements of spray evolution in order to test the accuracy. The predictions of the new construction are slightly more accurate and, when tested on 256 processors, are 34 times faster., Also this research used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. The authors gratefully acknowledge the computing resources provided on the Texas Advanced Computing Center (TACC) at The University of Texas at Austin that have contributed to the research results reported within this paper URL: http://www.tacc.utexas.edu.