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At least 1,027 records · Page 57

PINN surrogate of Li-ion battery models for parameter inference, Part II: Regularization and application of the pseudo-2D model

Bayesian parameter inference is useful to improve Li-ion battery diagnostics and can help formulate battery aging models. However, it is computationally intensive and cannot be easily repeated for multiple cycles, multiple operating conditions, or multiple replicate cells. To reduce the computational cost of Bayesian calibration, numerical solvers for physics-based models can be replaced with faster surrogates. A physics-informed neural network (PINN) is developed as a surrogate for the pseudo-2D (P2D) battery model calibration. For the P2D surrogate, additional training regularization was needed as compared to the PINN single-particle model (SPM) developed in Part I. Both the PINN SPM and P2D surrogate models are exercised for parameter inference and compared to data obtained from a direct numerical solution of the governing equations. A parameter inference study highlights the ability to use these PINNs to calibrate scaling parameters for the cathode Li diffusion and the anode exchange current density. By realizing computational speed-ups of ~2250x for the P2D model, as compared to using standard integrating methods, the PINN surrogates enable rapid state-of-health diagnostics. Finally, in the low-data availability scenario, the testing error was estimated to ~2 mV for the SPM surrogate and ~10 mV for the P2D surrogate which could be mitigated with additional data.

25 ENERGY STORAGE↗

Advanced diagnostics to evaluate heterogeneity in lithium-ion battery modules

Battery packs for electric and stationary applications experience varied operating conditions, including abuse—e.g., fast charging, overcharging, thermal, vibration, shock, etc.—throughout their lifetimes. Innovative diagnostic tools and algorithms that go beyond single cells and deal with modules and packs are essential for early detection of off-normal issues. High-resolution tools with known detection limits are key to developing appropriate mitigation strategies. With the advent of rapid impedance spectroscopy that can generate a broadband impedance spectrum in ~10 sec, the case for impedance-based diagnostics that can be readily aligned with other methods, such as incremental capacity or dQ.dV -1 , has become promising. This study used the aforementioned diagnostic methods to identify realistic in-vehicle battery abnormalities (e.g., localized self-discharge and non-uniform aging), in series (up to 10S) and parallel (4P) strings, using 16 Ah graphite/NMC cells. The impedance-based diagnostic is found to be sensitive to the string size and state. Depending on the type of abnormality, detection frequency varied. The dQ.dV -1 method showed the potential to detect long-term aging-related heterogeneity in modules. In general, both the impedance and dQ.dV -1 methods were able to detect series strings’ abnormalities, but struggled to find those issues within parallel modules.

25 ENERGY STORAGE↗

Single-fuel reactivity controlled compression ignition through catalytic partial oxidation reformation of diesel fuel

A single-fuel RCCI concept has been proposed to avoid the need for a secondary fuel system required for conventional RCCI by generating the secondary fuel from the primary fuel through catalytic partial oxidation (CPOX) reformation. In conventional RCCI, gasoline or natural gas can be used as the low-reactivity fuel, and diesel can be used as the high-reactivity fuel. In this study, two reformate mixtures generated by reforming diesel fuel at different operating conditions were used as the low-reactivity fuel, with the parent diesel as the high reactivity fuel. The combustion characteristics of reformate-diesel RCCI were compared with the conventional RCCI. A CFD model was also developed and validated against the experimental results. The model was then used to validate a necessary approximation of the reformate mixture's species concentrations. Compared to conventional RCCI fuel pairs, reformate-diesel RCCI shows marginally better thermal efficiency, approximately 10% better THC emissions, approximately 50% lower NOx emissions, and good controllability. Because the reformate mixture has a high concentration of diluents it displaces a large fraction of intake air and acts similarly to EGR. The combustion behavior of reformate-diesel RCCI is in between that of gasoline-diesel and natural gas-diesel conventional RCCI. From the results, it can be concluded that reformate-diesel RCCI is not overly sensitive to the reformation process itself and the exact species concentrations in the reformate mixture. Finally, a small change in the start of injection of diesel, blend ratio, and EGR fraction can be used to compensate for reformate mixture concentration differences.

33 ADVANCED PROPULSION SYSTEMS↗

Thermodynamic modeling of MDEA(aq)-NH 3 (aq)-K 2 CO 3 (aq)-CO 2 (aq) using the Extended UNIQUAC model

Here, the development of advanced processes for carbon dioxide capture requires reliable thermodynamic models to ensure accurate process design. This work presents an optimized parameter set of the Extended UNIQUAC model for advanced mixed solvent solutions containing CO 2 -MDEA-NH 3 -K 2 CO 3 in water. The model was parameterized using vapor–liquid equilibrium, pure component saturation pressure, excess enthalpy, heat of absorption, molar heat capacity, apparent molar heat capacity, and solid–liquid equilibrium. These thermal and equilibrium properties cover temperatures between 253.6 K to 600 K and pressures up to 75.6 bar. The current model represents an extension of previous versions that were suitable for modeling aqueous NH 3 and K 2 CO 3 solutions. This parametrization accounts for molecular interactions between MDEA and these two components, which allows for the design of advanced capture processes. This paper demonstrates that the new model parameters are valid within the range of operational conditions typically found in CO 2 capture processes.

42 ENGINEERING↗

Techno-economic life cycle assessment of CO 2 -EOR operations towards net negative emissions at farnsworth field unit

Optimizations of CO 2 Water Alternating Gas(WAG)- systems with multi-objectives of incremental recovery and maximization of CO 2 storage are challenging. Here, the incorporation of a total Greenhouse gas (GHG) life cycle assessment is mostly ignored leading to inaccurate estimation of overall net carbon emissions of their operations. In this study, the effect of a total GHG life cycle assessment on a multi-objective CO 2 -WAG optimization with integrated techno-economic assessment (TEA) which factors carbon tax credit is conducted. A life cycle assessment (LCA) was conducted utilizing a 20 -year optimized post history matched data from a high fidelity reservoir simulation model. Using data generated from the optimum result, a techno-economic life cycle analysis was further conducted. The first scenario classified as the base model had an estimated 81% of purchased CO 2 sequestered. The results through a comprehensive techno-economic LCA model yielded a net estimate of 73% of purchased CO 2 . The optimized forecasted model which considered key operational and reservoir factors such as WAG ratio, injection rates and periods, and well specification resulted in an improved sequestration of 92% of purchased CO 2 . However, this also dropped to 84% after taking it through LCA. These results clearly indicate a significant amount of net CO 2 is not accounted for when operations are not analyzed through LCA. From the LCA, direct flaring volumes of CO 2 , energy consumption and efficiency of unit equipment were noticed to be the major causes of these reductions. Considering ten main sources of energy as source of energy generation, a comparative techno-eco LCA was conducted. The results confirmed a lower net volume and NPV for energy sources with higher carbon footprints and vice versa. Thus, a total LCA of CO 2 -WAG greatly influences net storage factor of purchased CO 2 and hence project NPV where tax credit/incentives per ton of CO 2 sequestered is considered. Although operational conditions are optimized for best results, there are significant factors that leads to minimization of net storage factor. This study therefore provides an insightful information for optimizing CO 2 -WAG multi-objectives to achieve minimum GHG emission.

02 PETROLEUM↗

Validation of Octane Hyperboosting Phenomenon in Prenol and Structurally Related Olefinic Alcohols

Hyperboosting is a recently discovered phenomenon in which the research octane number (RON) of a blend is higher than both the neat blendstock and the neat fuel it was blended into. RON is a measure of a fuel's resistance to knock, and knock is a cause of engine inefficiency. Blends which exhibit hyperboosting are blends in which an overall improvement in engine efficiency may be expected. The first discovery of hyperboosting came from blending experiments in which prenol was blended into several different base fuels. Here, ignition delay time (IDT) measurements taken using a commercially available constant volume combustion chamber called the Advanced Fuel Ignition Delay Analyzer (AFIDA) are presented. The data show that some prenol blends have longer IDTs (lower reactivity) than either neat prenol or the base fuel, providing further evidence of hyperboosting. Additionally, more blending data is presented in which the base fuel is varied, which allows for a better understanding of hyperboosting sensitivity to chemical classes. The data indicate that aromatics may inhibit, and branched alkanes may enhance the magnitude of hyperboosting observed. Enthalpy of vaporization estimates are also given for several molecules which are blended into a 4-component surrogate. These estimates are derived from Equation of State simulations and reveal that there is no observable correlation between hyperboosting and enthalpy of vaporization. Blending data for molecules which share structural similarities with prenol are also presented. Structure property relationships are suggested, in which the double bond motif of prenol seems to play an important role in hyperboosting. This may help to understand hyperboosting and its underlying mechanism. Lastly, blending curves of surrogate blends with prenol experienced hyperboosting under lean (Homogeneous Charged Compression Ignition-HCCI) operating conditions, which validates that hyperboosting is not an artifact of the octane test methods, but inherent to the properties of prenol.

ADVANCED PROPULSION SYSTEMS↗

Rheology and engine performance of very low sulfur fuel oil blended with 10% fast pyrolysis and hydrothermal liquefaction oils in a 2-stroke crosshead engine

The performance and emissions for a downscaled single-cylinder 2-stroke crosshead engine were determined for a very low sulfur fuel oil (VLSFO) when blended with 10 wt.% fast pyrolysis (FP) or hydrothermal liquefaction (HTL) bio-intermediates. The FP and HTL oils were derived from biomass and were observed to contain lower molecular weight (MW) hydrocarbons than neat VLSFO (which was evaluated as a baseline comparison). The addition of either biofuel reduced the overall viscosity of the VLSFO. Aging tests at 50, 90, and 120°C showed that the dynamic viscosity of VLSFO increased with exposure time up to two weeks. Similar trends were observed for the FP and HTL blends, but a pronounced spike in viscosity occurred for these fuels during the early period of exposure. None of the viscosity increases exceeded the operational limits of fuel system pumps. Engine performance studies were conducted under low, medium and high load operational settings. The relative performance of the test fuels was highly dependent on operating condition. In general, the engine results for the three test fuels were similar, but modest improvements in brake thermal efficiency and brake specific fuel consumption were observed, which may be attributed to the heightened reactivity of low molecular weight fraction of the FP and HTL oils.

09 BIOMASS FUELS↗

An experimental and numerical investigation of HD diesel engine DOC efficiency in oxidizing NO to NO 2

Reducing pollutant emissions from heavy-duty (HD) diesel engines is critical due to their significant environmental impact, particularly concerning NOx emissions. Understanding and optimizing modern diesel oxidation catalyst (DOC) and selective catalytic reduction (SCR) performance is essential for improving exhaust aftertreatment (EAT) system efficiency to meet stringent emissions regulations. The oxidation of nitric oxide (NO) to nitrogen dioxide (NO 2 ) in DOC plays a key role in improving SCR efficiency in reducing NO x . This study investigates the DOC performance in oxidizing NO to NO2 and its impact on the SCR efficiency of a 2021 MY Navistar E39 HD diesel engine. The influence of engine speed, load, exhaust gas temperature, and composition on DOC efficiency is experimentally investigated. The relationships between DOC inlet temperature, oxygen availability and NO 2 /NO x ratio at the DOC inlet are examined to better understand their effects on the overall DOC efficiency. The results indicate that DOC NO oxidation efficiency is highly dependent on exhaust temperature, with optimal oxidation occurring within a specific temperature range (275-350°C). Below this threshold, the chemical reactions are kinetically limited, while at higher temperatures, thermodynamic constraints reduce the efficiency of DOC in oxidizing NO to NO 2 . The experimental data further reveal that the NO 2 /NO x ratio peaks at medium loads before declining at higher loads due to reduced residence time and mass transfer effects. Additionally, the SCR NO x conversion efficiency is significantly influenced by the NO 2 /NO x ratio, achieving peak performance when the NO 2 /NO x ratio approaches 0.5. A DOC chemistry model was developed and validated against the experimental data to predict DOC oxidation behavior under various operating conditions. The findings of this study provide insights into the interdependencies between DOC and SCR performance, contributing to the optimization of SCR systems for optimized NOx reduction.

33 ADVANCED PROPULSION SYSTEMS↗

A simulation-based parametric study of CLOU chemical looping reactor performance

Chemical looping with oxygen uncoupling (CLOU) is a variant on chemical looping combustion in which the oxygen carrier releases gaseous O 2 in the fuel reactor, making it well-suited for solid fuels, since the released gaseous O 2 readily reacts with solid char. This work presents several computational fluid dynamic (CFD) simulations of copper-based CLOU in a dual fluidized bed system, each with different operating conditions. The modeling predicted that coal particle sizes as large as 1000 μm did not significantly affect performance. Increased oxygen carrier copper loading resulted in an excess of gaseous oxygen in the product gas stream. Decreasing the oxygen carrier bed mass as well as reducing the air reactor fluidizing velocity did not supply enough oxygen to the fuel reactor to complete combustion of the coal. This generated a failure state in which the temperature continued to decrease in the fuel reactor from the lack of combustion, which in turn reduced the O 2 equilibrium partial pressure, further lowering the amount of combustion possible. Sufficient O 2 can be maintained in the fuel reactor by ensuring a high enough air reactor velocity and a large enough supply of oxygen carrier inventory to handle the chosen coal feed rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of the energy balance of chemical looping combustion of solid fuels using CuO-based oxygen carriers

Chemical looping combustion (CLC) can inherently capture the CO2 generated during thermal energy production. When using CuO-based oxygen carriers, the reactions in both the fuel reactor (FR) and air reactor (AR) are exothermic, facilitating autothermal operation. To prevent the oxygen carrier from becoming agglomerated while ensuring a sufficient oxygen release rate, it is necessary to predict the FR temperature and remove an appropriate amount of heat from the AR when burning high-rank fuels. Here in this work, the energy balance of a CuO-based CLC system firing various solid fuels (biomass, coal, and petroleum coke) was investigated by establishing a thermodynamic model using FactSage. The energy distribution characteristics of the FR were quantified based on a virtual five-step thermodynamic sequence. The effects of fuel properties, oxygen carrier properties, and operating conditions on the energy balance were evaluated systematically. The results indicate that the temperature difference between the FR and AR is not very sensitive to the heating value of the fuel, while the CuO loading of the oxygen carrier, the heat capacity of the support material, and the flow rate of the fluidizing gas have significant impact. The insights obtained in this work will help improve the design and heat management of CLC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-device study of temporal characteristics of magnetohydrodynamic modes initiating disruptions

Disruptions in tokamaks are often preceded by magnetohydrodynamic (MHD) instabilities that can rotate or become locked to the wall. Measurements from magnetic diagnostics in the presence of MHD mode precursors to disruptions can yield potentially valuable input to the plasma control system, with a view to disruption avoidance, prediction and mitigation. This report presents an exploratory analysis of the growth of MHD modes and corresponding time scales on the basis of magnetic measurements in multiple tokamaks. To this end, a database was compiled using disruptive discharges from COMPASS, ASDEX Upgrade, DIII-D and JET, manually classified according to disruption root cause, and characterized by a great diversity of operational conditions and mode dynamics. The typical time during which a mode can be detected using saddle coils and the duration of the locked mode phase in the database both extend over several orders of magnitude, but generally the time scales increase with plasma size. Several additional factors are discussed that can influence these durations, including the disruption root cause. A scaling law for the locked phase duration was estimated, yielding predictions toward ITER of the order of hundreds of milliseconds or even seconds. In addition, a scaling law for the mode amplitude at the disruption onset, proposed earlier by de Vries et al. (2016), is applied to the database, and its predictive capabilities are assessed. Despite significant uncertainty on the predictions from both scaling laws, encouraging trends are observed of the fraction of disruptions that may be detected with sufficient warning time to allow mitigation or even avoidance, based solely on observations of MHD mode dynamics. When combined with similar analysis of measurements from diagnostics that are sensitive to other disruption precursors, our analysis methods and results may contribute to the reliability, robustness and generalization of disruption warning schemes for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MHD flow in liquid metal blankets: Major design issues, MHD guidelines and numerical analysis

The design of breeding blankets represents the major challenge for fusion reactor engineering because of performance requirements and severe operating conditions in terms of heat load and neutron flux. Liquid metal alloys such as lead-lithium, due to their lithium content, can be used to breed tritium, one of the plasma fuel components, and owing to their high thermal conductivity, they may serve as coolants. On the other hand, there are technical issues related to the fact that the liquid metals are electrically conducting and interact with the plasma-confining magnetic field. Induced electric currents and generated electromagnetic forces affect velocity and pressure distribution in the blankets. Magnetohydrodynamic (MHD) flows for fusion applications have been often investigated in simplified geometries, such as pipes, ducts, bends, with focus on their fundamental features. These analyses are essential, since results remain valid as background for the development of blanket designs, even when a concept is dismissed. However, the conceptual study of fusion blankets requires to take into account the global multiple effects, that arise when the full system is considered. Progress made in fusion-related MHD research results from combined numerical and experimental activities. In this paper we review and summarize features of 2D and 3D MHD flows that are typical in liquid metal blankets, together with available correlations for MHD pressure losses. This knowledge can provide simple design MHD guidelines that support a preliminary estimate of MHD effects in a blanket concept, in terms of pressure drop and flow distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MELCOR-TMAP: The integration of MELCOR for fusion and TMAP4 for fusion reactor systems safety analysis and tritium inventory tracking

The design of fusion reactors requires the prediction of radioactive tritium migration during normal operating conditions and accident scenarios. Safety standards such as those from the U.S. Department of Energy (DOE) require that fusion reactor designs limit the release of hazardous material to the environment. In addition to safety requirements, the rarity of tritium supplies for burning D-T fusion plasma requires tritium breeding blankets. Computational modeling of migration of tritium and various reaction products throughout the fusion reactor serves to create designs that fulfill these requirements. MELCOR-TMAP, owned and developed at Idaho National Laboratory (INL), is an integrated system-level engineering code adapted for the analysis of fusion reactor systems. The history of the conception and evolution of the MELCOR-TMAP code, as well as its current capabilities, recent updates including a corrected composite material wall nodalization scheme, and plans for future development, are discussed here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Estimation of the Thermal-Fluids and Thermal-Structural Performance of Helium-Cooled Modular Finger-Type Divertors

Over the past decade, our group has investigated the thermal-fluid performance of the helium-cooled modular divertor with multiple jets (HEMJ) and a simplified “flat” design of the HEMJ for long-pulse magnetic fusion energy (MFE) reactors. Experimental studies were performed in a helium (He) loop at the prototypical pressure of 10 MPa, nearly prototypical He temperatures and incident heat fluxes using test sections made from stainless steel and tungsten alloys. Correlations for average Nusselt numbers and pressure loss coefficients were developed from the data and are used to validate computational fluid dynamics (CFD) models. Here, this work presents updated thermal-fluids performance curves based on these correlations that estimate the maximum heat flux that can be accommodated by the plasma-facing surface and coolant pumping power requirements at prototypical operating conditions. Thermal-structural performance curves developed from ITER structural design criteria are introduced, which include protection against ductile and non-ductile failure, ratcheting fatigue, and creep fatigue. The performance design curves for these finger-type divertors demonstrate that the “flat” design, with a significantly less complicated geometry than the HEMJ, has thermal-fluid and thermal-structural performance comparable to the original HEMJ concept, and may be superior in terms of non-ductile failure criteria.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Full-Induction Magnetohydrodynamics Solver for Liquid Metal Fusion Blankets in Vertex-CFD

Multiphysics modeling of liquid metal fusion blankets, which produce tritium and convert energy of neutrons created via fusion reactions into heat, is crucial for predicting performance, ensuring structural integrity, and optimizing energy production. While traditional blanket modeling of liquid metal flows during normal steady operating conditions commonly employs the inductionless approximation of the magnetohydrodynamics (MHD) equations, transient scenarios, when the plasma-confining magnetic field varies on millisecond time scales, require a full-induction MHD approach that dynamically evolves the magnetic field via the time-dependent induction equation. This paper presents the formulation, implementation, and initial verification of a full-induction MHD solver integrated within the open-source Vertex-CFD framework, which aims to achieve tight multiphysics coupling, a flexible software design enabling easy extension and addition of physics models, and performance portability across computing platforms. The solver utilizes finite element spatial discretization, implicit Runge–Kutta time integration, and an inexact Newton method to solve the resulting discrete nonlinear system, leveraging Trilinos packages for efficient computation. Verification against selected benchmark problems demonstrates accuracy and robustness of the solver. Furthermore, when the solver is applied to an idealized blanket model in 2.5D and full 3D, results obtained with Vertex-CFD are in good agreement with recently published quasi-2D simulations. These findings establish a computational foundation for future simulations of transient MHD phenomena in liquid metal blankets with Vertex-CFD, and open avenues for future extensions and performance optimizations.

Endeve, Eirik [ORNL] (ORCID:0000000312519507)↗

A control oriented comprehensive degradation model for battery energy storage system life prediction

In order to ensure that stationary battery energy storage systems (BESSs) provide reliable energy buffering, both for power quality and economic purposes, the degradation must be considered. Cell degradation involves various side reactions and is highly dependent on its operating conditions. To accurately track cell degradation and predict its impact on battery behavior, a comprehensive physics-based degradation model based on an electrolyte phase-enhanced single particle (SP) model is developed. Key degradation physics, namely solid electrolyte interphase (SEI) layer formation and growth, Li plating on the graphite anode, and Mn dissolution on cathode of nickel-cobalt-manganese oxide (NMC622) are considered. The model is validated against experimental capacity data. The results reveal that the deposition rate of both SEI layer and Li metal increase as the charge voltage increases. At the cathode side, the solvent oxidation rate determines the Mn dissolution rate. As a result, the volume fraction of NMC622 in the cathode continually decreases at a gradually increasing rate.

25 ENERGY STORAGE↗

Specifying angular reference for robust three-phase state estimation

While the phase angle of any of the bus voltages can be chosen as the angular reference in the state estimation formulation of positive sequence networks, the same approach does not readily extend to three-phase network state estimation problem. It is commonly assumed that there is at least one bus where the bus voltages are perfectly balanced with phase angles displaced ±120° and these balanced three phase voltages are used as the three-phase reference in solving the three-phase state estimation problem. This assumption may be quite realistic in transmission networks, and for distribution networks with a strong transmission system connection. However, it might not be realistic to assume existence of a perfectly balanced reference bus in today’s distribution systems with ever increasing penetration of renewable sources or for isolated operation of microgrids. In this paper, a novel state estimation formulation will be presented which facilitates correct solution irrespective of the existence of buses with perfectly balanced voltages. The new formulation is general, and lends itself to bad data processing. It yields accurate results in any three-phase power system irrespective of its operating conditions (balanced or highly unbalanced), configuration (isolated microgrid, connected to transmission system, etc.) and whether or not it contains any synchronous generators. The performance of the method is validated using the IEEE 123 bus three-phase system.

24 POWER TRANSMISSION AND DISTRIBUTION↗