A. Gangoli Rao
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1
Predicting the Maximum Loading in Zeolites for Hydroisomerization Applications
A Machine Learning Approach
Hydroisomerization of alkane isomers is an important step in the manufacture of current kerosene and sustainable aviation fuels. Zeolites are used as acid catalysts in this process. It is therefore important to have predictions of the adsorption capacity or maximum loading of hydrocarbons in zeolites. Here, a cascade model using machine learning models is used to predict the maximum loading of alkane isomers in zeolites. The cascade is composed of a gradient-boosted tree classifier stage that predicts whether adsorption occurs and a regressor predicting the value of the maximum loading. The final data set consists of 45 different adsorbates (both linear and branched alkanes up to C16) and 97 different zeolite structures, resulting in 4365 data points. Descriptors include information on the geometry and topology of zeolite channels as well as the shape and size of the adsorbates. Extra composite descriptors are also present to provide the physical basis for predictions. Multiple regressors of different natures are considered: support vector regressors, gradient-boosted trees, extreme gradient-boosted trees, and the TabPFN pretrained model. TabPFN yields the highest generalization performance and the lowest error. An interpretability analysis using SHAP reveals that the most influential descriptors are physically meaningful, highlighting steric and volumetric constraints as the primary factors controlling the prediction of qmax. It is shown that despite both the classifier and the regressor being insensitive to random splits in data, the regressor is prone to overfitting at low fractions of data withheld for testing. The cascade model is compared to an Artificial Neural Network for training and resource efficiency. Despite training being longer for the neural network, the final model is lighter in both memory and storage. This work is built on our previous research in predicting the Henry coefficients of long-chain alkanes in zeolites. Using this previous model and the findings of this work, one could construct the adsorption isotherm for any alkane, thus enabling the analysis of adsorption behavior of alkane mixtures using IAST.
Simulation of the refuelling process for an LH2-Powered commercial Aircraft
Part 2 - Refuelling time of the Airbus ZEROe turboprop concept
Liquid hydrogen (LH2) is gaining momentum as a sustainable aviation fuel, but its cryogenic nature poses significant challenges for ground operations, particularly aircraft refuelling. This process is increasingly recognised as a potential bottleneck for operational efficiency, as it can significantly extend turnaround times. Although some recent studies have proposed assumptions about LH2 refuelling rates, their conclusions vary widely, and detailed modelling efforts remain limited. This paper presents the second part of a two-part study that aims to improve understanding of the LH2 refuelling by delivering a validated numerical modelling framework and practical insights to support the design of future LH2-powered aircraft and their airport refuelling operations. Part 1 focused on developing and validating a thermodynamic model that captures key physical phenomena such as heat transfer and droplet dynamics. The model was validated against experimental data from the LH2 no-vent filling tests to demonstrate its accuracy in predicting relevant physical processes. In Part 2, the validated model is applied to a representative case study based on the Airbus ZEROe Turboprop concept. The objective is to quantify the refuelling time and hydrogen venting under realistic conditions. The simulation results indicate a refuelling time of approximately 19, min and ventilation losses of 36.7, kg, corresponding to approximately 2. 2 % of the total transferred LH2 mass. Although the duration of refuelling exceeds that of current kerosene-powered aircraft such as the Bombardier Q400, the overall turnaround time remains feasible if the LH2 refuelling process is carried out in parallel with other ground operations, subject to safety protocols. These findings challenge simplified assumptions in the previous literature and provide physics-based insight to support the design of safe and efficient LH2 fuelling procedures and infrastructure for future zero-emission aviation.
Flame front identification typically relies on chemiluminescence or planar laser-induced fluorescence (PLIF) diagnostics. Yet, existing approaches are often limited by line-of-sight integration, low signal-to-noise ratio, or limited applicability to hydrogen flames. This study introduces a novel OH PLIF-based method that isolates the flame front by subtracting fluorescence signals obtained from two excitation lines with distinct temperature dependencies. The method is validated using LIFSIM coupled with 1D freely propagating flame simulations and is experimentally demonstrated in a laminar premixed H2[jls-end-space/]-air Bunsen flame. The resulting flame front marker exhibits a well-defined peak located, on average, 0.56 flame thicknesses from the heat release rate (HRR) peak and an average width of 1.57 times the HRR width. These values are comparable to those obtained from OH∗ chemiluminescence and the OH PLIF gradient, while offering substantially higher SNR and providing spatial resolution. Beyond introducing a new flame-front marker, suitable for hydrogen flames, this work provides a numerical and experimental assessment of OH-based HRR markers, evaluating their performance for hydrogen flame diagnostics.
Aviation has a significant contribution to climate change, which is poised to increase in the coming years due to increasing demand in air travel. The A321 APPU aircraft could offer a significant improvement as it offers a synergistic combination of two interesting technologies-a fuel-flexible hydrogen combustion system combined with boundary layer ingestion, by introducing a hydrogen-powered auxiliary power and propulsion unit (APPU). This turboshaft engine is located in the tail cone and powers a boundary layer ingestion propulsor, producing approximately 15% of the thrust. To improve the efficiency of the APPU, the feasibility of the steam ijection and recovery (SIR) cycle is evaluated. This semi-closed water cycle can reduce fuel consumption and NOx emissions. Both the baseline and the SIR APPU are modelled in pyCycle, an open-source gas turbine parametric analysis tool. The baseline APPU engine was found to have a thermal efficiency of 45% and a mass of around 500 kg. The SIR cycle can reduce fuel consumption by up to 7% and decrease NOx emissions by approximately 33%, with an increase in engine mass of approximately 15%.
Hydrogen combustion is gaining attention for its potential to enable low-emission energy conversion in gas turbines. Since hydrogen is carbon-free, it produces no carbon-based pollutants and primarily forms water vapor. However, due to its higher adiabatic flame temperature with respect to hydrocarbons, hydrogen combustion is more prone to increased nitrogen oxides (NOx[jls-end-space/]) formation. Accurately predicting NOx formation remains a major challenge, particularly when scaling from laboratory experiments to industrial applications. While scaling laws are widely used in fluid dynamics, their application to NOx emissions is challenging due to the complex nature of NOx formation. This study develops a semi-empirical, physics-based correlation to estimate NOx emissions in swirl-stabilized, partially premixed lean hydrogen–air burners. The proposed correlation expresses the Emission Index of NOx (EINOx[jls-end-space/]) as a function of key operating and design parameters, including fuel mass flow rate, pressure, adiabatic flame temperature, equivalence ratio, residence time and swirl number. It builds upon Westenberg’s NOx formation rate equation, incorporating composition-dependent effects via equivalence ratio. The slow formation nature of NOx is accounted for via the combustor mean residence time. Additionally, the influence of swirl on the mixing process is modeled through a swirl-modified effective equivalence ratio, acknowledging that while partial premixing is a design choice, swirl intensity can either enhance or disrupt the degree of premixing before combustion. The model’s parameters were calibrated using experimental data from published literature. By providing a predictive tool for NOx scaling across different operating conditions, this model supports the development and design of experiments and devices for hydrogen–air combustion.
The aviation industry and policymakers are advocating Sustainable Aviation Fuels (SAF) as one of the main pillars for making the aviation industry sustainable. However, regulatory frameworks like CORSIA and the EU Renewable Energy Directive often exclude the climate impact from in-flight non-CO2 emissions (e.g., NOx, H2O, and soot emissions), which is important in determining the effect of SAF in reducing the climate impact of aviation. To bridge this gap, we evaluate the total global warming effects of SAF from a well-to-wake analysis, which includes the climate effects from CO2 emissions of the well-to-wake combined with the non-CO2 emissions of the pump-to-wake (i.e., inflight). We quantify the climate impact of NOx, H2O and contrails and convert them to a CO2 equivalence (CO2e) factor based on a climate metric, for instance, the Average Temperature Response over a given time horizon (i.e., 20, 50 and 100 years). The resulting well-to-wake CO2e values for SAF vary from about 150 to 250 g/MJ, depending on the specific fuel pathways. Our analysis shows that the maximum reduction in CO2e emissions when using SAF is less than 50% compared to conventional jet fuel, mainly due to the inflight NOx and contrail effects.
Low emissions and fuel flexibility are two important criteria required for gas turbine combustors to facilitate the energy transition to low-carbon fuels for propulsion and power applications. A jet-stabilized combustor, having both these characteristics, was operated with CH 4–H 2 fuel mixtures with H 2 varying from 0 to 100 % and with varying equivalence ratios (ϕ). Comprehensive measurements were carried out of the velocity field using Particle Image Velocimetry (PIV), temperature and gas composition by traversing probes in the chamber, and flame topology using chemiluminescence imaging. The flow field in this combustor consists of a jet that undergoes recirculation, generating Central and Peripheral Recirculation Zones (CRZ and PRZ). The recirculation ratio in the PRZ is found to be twice that of the CRZ. Increasing H 2 % for the same ϕ leads to higher NO x. Ultra-low ϕ flames could be stabilized only at H 2≥50 %, which in turn leads to low NO x due to low adiabatic flame temperatures. The combination of temperature, gas composition (CO/NO), and chemiluminescence images is used to identify the extent and location of the reaction zone. Distributed reaction zones, stabilizing at around 30 % of the length of the chamber, are achieved at lean conditions, whereas an increase in H 2 % makes the reaction zone more compact and shifts upstream towards the burner head. Flame kernels are extracted from the instantaneous chemiluminescence images, and probability distribution functions for their aspect ratio and axial location are constructed. It is seen that reducing ϕ leads to low aspect ratio kernels that tend to occur further downstream, whereas increasing H 2 % leads to higher aspect ratio kernels, stabilizing upstream. These flame kernel statistics are also used to identify ignition modes (autoignition/flame propagation) for varying fuel H 2 % and inlet ϕ based on a hypothesis of flame stabilization mechanisms.
The jet-in-coflow is a two-stream configuration having engineering applications in combustors and gas turbine engine exhausts. In practical systems, the coflow generates a boundary layer of the outer wall of the jet pipe and may also have a certain level of turbulence. In the current work, the evolution of this flow configuration is studied using an air-air turbulent jet in a low turbulence coflow (turbulence intensity < 6%), and the 2D velocity field is measured by planar particle image velocimetry. Cases of varying coflow ratio (ratio of coflow velocity to jet velocity) of 0 (turbulent free jet), 0.09, 0.15, and 0.33 are generated by keeping a constant velocity jet (Re = 14000) and varying the coflow velocity. The trends of jet centerline properties such as velocity decay, jet spread, and jet momentum of jet-in-coflow cases, scaled to represent an equivalent free jet, show deviations from that of the turbulent free jet. The radial profile of mean velocity shows a region of velocity deficit, compared to a turbulent free jet, on the coflow side in the jet-in-coflow cases. In contrast, the turbulence intensity and Reynolds shear stress profiles show an enhanced peak near the interface for the jet-in-coflow cases. Further, conditional statistics were extracted by detecting the interface between the jet and the surroundings, wherein the same trends are observed. The low turbulence levels of the coflow have little effect on the jet/coflow interface, as seen by the conditional enstrophy diffusion and tortuosity compared to a turbulent free jet. The differences at the jet/coflow interface of a jet-in-coflow with respect to a turbulent free jet are attributed to the boundary layer initially developed by the turbulent coflow over the pipe generating the jet, and these are seen throughout the near-to-intermediate field (0≤x/D≤40).
Introducing H 2 as fuel in gas turbines is a promising step towards decarbonizing the energy sector. However, the future availability of H 2 in large quantities remains uncertain. Consequently, designing fuel flexible (CH 4/H 2) combustion chambers for various fuel blends is necessary. The distinct combustion characteristics of H 2, such as high flame speeds and high adiabatic flame temperatures, pose challenges when designing systems that can operate in a stable manner and with low emissions across a wide range of fuel mixtures. This paper investigates the fuel-flexibility of an atmospheric laboratory scale, partially premixed swirl stabilized combustor. By deploying a non-rotating axial air jet (AAI) in the center-line of the swirling flow, the flashback risk for high H 2 content fuels is minimized. This study provides detailed insights into AAI's interaction with CH 4/H 2 fuel blends, analyzing the resulting flow field from Particle Image Velocimetry, emissions from exhaust gas analyser measurements, and flame structures from OH* chemiluminescence and OH Planar Laser Induced Fluorescence. The results show that AAI enables flame stabilization across the full range from 100% CH 4 to 100% H 2 in the same injector geometry. However, a high portion of the total airflow must be injected axially to stabilize H 2 flames. Increasing the level of AAI increases NO emissions and alters flame stabilization mechanisms. This is likely due to a decrease in mixing quality, resulting in the fuel staying close to the periphery of the mixing tube. Switching the fuel from 100% CH 4 to 100% H 2 leads to an increase in NO emission, despite lower adiabatic flame temperatures for the perfectly premixed case. This indicates that the mixing process and flame location within the combustion chamber are essential in controlling NO emissions. Moreover, the flow field transforms significantly from a swirl-stabilized flow field featuring an inner recirculation zone to one resembling the one of a jet flame.
Liquid hydrogen (LH2) is a promising candidate for zero emission aviation, but its cryogenic properties make the refuelling process fundamentally different from that of conventional jet fuels. Although previous studies have addressed LH2 storage and system integration, detailed modelling of the refuelling process remains limited. This paper presents the first part of a two-part study focused on simulation of the refuelling process for an LH2-powered commercial aircraft. An existing tank model is substantially modified to more accurately capture relevant physical phenomena, including heat transfer and droplet dynamics during top-fill spray injection. Newly available experimental data on LH2 no-vent filling enables direct validation of the model under conditions that match the experimental setup. A sensitivity analysis identifies the most influential parameters that affect model precision, including loss coefficient, droplet diameter, radiative heat ingress, and vent-closing pressure. The validated model forms the basis for Part 2 of this study, in which it is applied to a representative LH2-powered commercial aircraft to simulate refuelling times, quantify venting losses, and assess the impact of key operational settings. These results support the design of efficient LH2 refuelling systems for future aircraft and airport infrastructure.
HYLENA will investigate, develop and optimize an innovative, highly efficient integrated hydrogen powered, electrical aircraft propulsion concept for short and medium range. It will achieve significant climate impact reduction by being completely carbon neutral with radical increase of overall efficiency. The full synergistic use of: a) an electrical motor (as the main driver for propulsion), b) a contoured hydrogen fueled SOFC stacks (geometrically optimized for nacelle integration), c) a gas turbine (to thermodynamically integrate the SOFC), will act as an enabler for hydrogen aviation and will allow for efficient and compact engine concepts. This disruptive propulsion system will be called HYLENA concept. HYLENA aims to evaluate and demonstrate the feasibility of a “game changing” engine type which integrates Solid Oxide Fuel Cells (SOFC) into a turbomachine, in order to utilize the heat generated by the fuel cells on top of its electrical energy. The combination of e-motor, turbomachine and contoured SOFCs fueled with H2 will deliver high overall efficiency and performance versus state-of-the-art turbofan engines. Indeed, HYLENA Figures of Merit consist of minimizing CO2 emission; negligible NOX and an unmatched overall efficiency versus state-of-the-art turbofans which corresponds to an outstanding performance increase. It will also enable to extend the flight range for the same fuel tank size. The HYLENA project will deliver: 1. On SOFC cell level: Experimental investigations on SOFC cell technologies and identification of the most promising one(s) for aeronautical applications; 2. On SOFC stack level: Studies and tests to determine the most compact/light/manufacturable way of stack integration; 3. On thermodynamic level: Cycles simulations of the proposed novel HYLENA concept architecture and down selection of the most performing one; 4. On engine design level: Exploration, through resilient calculation and simulation, of the best engine design, sizing and overall components integration; 5. On overall engine efficiency level: Demonstration that HYLENA concept can reach very high efficiency levels with limited weight and complexity; 6. On demonstration level: A decision dossier for a potential ground test demonstrator to prove that the HYLENA concept works in practice during a second phase in the continuity of this project.
The jet-in-hot-coflow is a canonical combustion setup, which has been used in several studies to study Flameless/MILD combustion and auto-ignition of fuels. However, the NOx and CO emission measurements from these combustion setups were not possible due to the entrainment of laboratory air and a lack of a well-defined physical system limit. These limitations have been overcome by a new enclosed jet-in-hot-coflow setup. The combustor was operated by injecting a mixture of CH4-Air in the central jet, and the coflow comprised of hot products from CH4-Air combustion in burners upstream. The coflow composition was further controlled by adding diluents such as N2 and CO2. Measurements were done using stereoscopic particle image velocimetry, suction probe gas analysis, thermocouples, and chemiluminescence imaging. Increasing central jet velocity and equivalence ratio led to lower NOx and a reaction zone that enlarged and shifted downstream. The reduction in NOx emission was attributed to the returning mechanism. Adding CO2 and N2 as diluents in the coflow resulted in a longer combustion zone and reduced temperatures in the combustion chamber, leading to decreased NOx production and increased reburning. These experiments provide relevant flowfield and emissions data for modelers and help characterize combustion regimes such as Flameless/MILD.
In this work, reactive CFD simulations are used to explore different spray injection configurations and assess the impact of kerosene on the flow field, the flame shape and the NO emissions of the modified system. In particular, three different injection positions are studied, featuring injection points on the backplane of the combustion chamber, inside the fuel/air mixing tube or on the axis of the burner. It is found that the most suitable position for kerosene injection is on the axis of the burner, so that the spray is surrounded by the swirling flow and undergoes a rapid mixing with the oxidising stream, limiting the maximum temperature reached by the mixture. Moreover, in this case, the addition of hydrogen leads to reduced NO emissions since it decreases the size of the hot spots generated by the combustion of kerosene. ...
In this work, reactive CFD simulations are used to explore different spray injection configurations and assess the impact of kerosene on the flow field, the flame shape and the NO emissions of the modified system. In particular, three different injection positions are studied, featuring injection points on the backplane of the combustion chamber, inside the fuel/air mixing tube or on the axis of the burner. It is found that the most suitable position for kerosene injection is on the axis of the burner, so that the spray is surrounded by the swirling flow and undergoes a rapid mixing with the oxidising stream, limiting the maximum temperature reached by the mixture. Moreover, in this case, the addition of hydrogen leads to reduced NO emissions since it decreases the size of the hot spots generated by the combustion of kerosene.
Results from the APPU project
The potential of low-threshold hydrogen-powered BLI propulsion
Results from the APPU project, which investigated the concept of an "Auxiliary Power and Propulsion Unit" (APPU) are presented. The APPU is a hydrogen-driven boundary-layer-ingesting engine at the tail end of a passenger aircraft which replaces the conventional APU and contributes about 15% of total thrust at top of climb. The aim of the configuration is to allow the introduction of hydrogen and BLI technology by upgrading existing aircraft designs. The concept aims to benefit from the advantages of these new technologies as much possible, without requiring the same level of reliability as for conventional propulsion, during times when hydrogen infrastructure is not universally available. The investigation concerns hydrogen tank mass, engine efficiency, operational, aerodynamic and reliability aspects, and finds block CO2 emissions can be reduced by a larger amount than the thrust rating of the auxiliary hydrogen engine may suggest. One reason for this is that the additional engine permits smaller and more efficient designs for the main engines. A still larger benefit is found to arise out of the assumption that the APPU engine and associated H2 fuel systems is less reliable than the conventional underwing engines. This assumption permits different strategies to maximize the utilization of hydrogen over kerosene. CO2 emissions for the design mission are found to be reduced by 23.1% over the A321neo, and by 15.5% over an A321neo fitted with updated turbofan engines.
The power sector accounts for ∼40% of global energy-related CO2 emissions. Its decarbonization by switching to low-carbon renewables is essential for a sustainable future. Existing electrical grids, however, have limited capacity to absorb the variability introduced by these new energy sources and rely largely on natural-gas-based power generation. For deep decarbonization, alternative solutions to increase grid flexibility are needed. Among these, energy storage is expected to have a key role. This paper proposes a unique energy storage and re-conversion system by coupling the hydrogen combustion in supercritical CO2 (HYCOS) cycle, a zero-emission combustion cycle, with long-term/seasonal energy storage based on green H2 production. This power cycle is expected to be highly scalable and compact and can deliver power at net electrical efficiency between 55% and 60% at distributed generation levels. Thus, it can be highly competitive with existing solutions such as fuel cells, reciprocating engines, and gas turbines.
Large eddy simulation (LES) paradigms are employed to analyse the internal flow field of a lean premixed swirl-stabilized combustor with axial air injection at both non-reacting and reacting conditions, for a methane and a methane-hydrogen fuel mixture. The thickened flame combustion model (TFM) with detailed chemical kinetic mechanism is employed to simulate the flow. An adaptive mesh strategy is used to maximise the mesh resolution in the flame and boundary layer regions. The numerical results for the methane flame are firstly validated against experimental velocity measurements obtained via particle image velocimetry (PIV). Subsequently the LES is employed to simulate hydrogen-enriched methane flames by keeping the same output power in the combustor, in order to obtain insights on the flow behaviour when hydrogen is added, in terms of flame stability and emissions. A POD analysis reveals the presence of a precessing vortex core (PVC) in both reacting and non-reacting conditions, and how this PVC is affected by the reactants mixture is discussed in the paper. Moreover, the flame is observed to propagate upstream in the jet core despite the use of axial air injection, although flashback is not observed. In terms of emissions, significant reduction in CO and NOx is observed when adding the hydrogen to the reactants mixture despite the higher flame speed, the reason for are discussed in the paper.
Instability of Rotating-Cone Boundary Layer in Axial Inflow
Effect of Cone Angle
Boundary-layer instability on a rotating cone induces coherent spiral vortices that are linked to the onset of laminar–turbulent transition. This type of transition is relevant to several aerospace systems with rotating components, e.g., aeroengine nose cones. Because a variety of options exist for the nose-cone shapes, it is important to know how their shape affects the boundary-layer transition phenomena. This study investigates the effect of varying cone angle on the boundary-layer instability on rotating cones facing axial inflow. It is found that increasing cone angle has a stabilizing effect on the boundary layer over rotating cones in axial inflow. The parameter space of Reynolds number Re l and local rotational speed ratio S is experimentally explored to find the spiral vortex growth on rotating cones of half angle ψ 22.5°, 45°, and 50°. The previously addressed cases of ψ 15° and 30° are also revisited. Increasing half-cone angle is found to have a stabilizing effect on the boundary layer on the rotating cones with ψ ≲ 45°; i.e., the spiral vortex growth is delayed to higher Re l and S. This effect diminishes when the half-cone angle increases from ψ 45° to 50°. The spiral vortex angle ϵ decreases with increasing rotational speed ratio S for all the investigated cones, irrespective of the half-cone angle. However, the instability on the broader cones is found to induce shorter azimuthal wavelengths.