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At least 451 records · Page 25

A co-kurtosis PCA based dimensionality reduction with nonlinear reconstruction using neural networks

For turbulent reacting flow systems, identification of low-dimensional representations of the thermo-chemical state space is vitally important, primarily to significantly reduce the computational cost of device-scale simulations. Principal component analysis (PCA), and its variants, are a widely employed class of methods. Recently, an alternative technique that focuses on higher-order statistical interactions, co-kurtosis PCA (CoK-PCA), has been shown to effectively provide a low-dimensional representation by capturing the stiff chemical dynamics associated with spatiotemporally localized reaction zones. While its effectiveness has only been demonstrated based on a priori analyses with linear reconstruction, in this work, we employ nonlinear techniques to reconstruct the full thermo-chemical state and evaluate the efficacy of CoK-PCA compared to PCA. Specifically, we combine a CoK-PCA-/PCA-based dimensionality reduction (encoding) with an artificial neural network (ANN) based reconstruction (decoding) and examine, a priori, the reconstruction errors of the thermo-chemical state. In addition, we evaluate the errors in species production rates and heat release rates, which are nonlinear functions of the reconstructed state, as a measure of the overall accuracy of the dimensionality reduction technique. We employ four datasets to assess CoK-PCA/PCA coupled with ANN-based reconstruction: zero-dimensional (homogeneous) reactor for autoignition of an ethylene/air mixture that has conventional single-stage ignition kinetics, a dimethyl ether (DME)/air mixture which has two-stage (low and high temperature) ignition kinetics, a one-dimensional freely propagating premixed ethylene/air laminar flame, and a two-dimensional dataset representing turbulent autoignition of ethanol in a homogeneous charge compression ignition (HCCI) engine. Finally, results from the analyses demonstrate the robustness of the CoK-PCA based low-dimensional manifold with ANN reconstruction in accurately capturing the data, specifically from the reaction zones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of unburnt reaction progress on stretch flame dynamics under elevated temperatures

Flames in practical combustors and engines are inevitably subject to the effects of upstream chemical reaction progress and stretch, induced by elevated thermodynamic conditions and flow non-uniformities, respectively. Recent shock tube experiments and simulation studies on flame propagation have shown that flame speed under engine-relevant conditions can be enhanced with non-negligible upstream chemical reaction progress, especially when low-temperature heat release is involved in the unburnt mixture. On the other hand, depending on the mixture equivalence ratio and diluents, nonequidiffusion (including the non-unity Lewis number effect and the preferential diffusion effect) can couple with the flame stretch to fundamentally affect the flame propagation, which can manifest as either facilitation or suppression. Depending on the transport property of a reacting mixture, there hence can be either inhibition or promotion from unburnt reaction progress and stretch effects on flame propagation. In the current work, through one-dimensional numerical simulations of transient planar and spherical flames of n-heptane/air under elevated thermodynamic conditions, the combined effects of upstream chemical reaction progress and stretch on flame propagation are investigated. Results show that for both lean and rich n-heptane/air mixtures, flame speed can be substantially promoted with reaction progress, while the rich mixtures can exhibit opposite stretch dependence after first-stage ignition. Different definitions of effective Lewis number are adopted to explain the change in Markstein length for spherical flame in lean and rich mixtures reformed by the low temperature chemistry. Further, this work fills an important gap in laminar premixed flame research relevant to practical combustion systems and can provide useful insight into local turbulent flame behaviors and phi-sensitivity in engine combustion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct numerical simulation of a high-pressure hydrogen micromix combustor: Flame structure and stabilisation mechanism

A high-pressure hydrogen micromix combustor has been investigated using direct numerical simulation with detailed chemistry to examine the flame structure and stabilisation mechanism. The configuration of the combustor was based on the design by Schefer et al., using numerical periodicity to mimic a large square array. A precursor simulation of an opposed jet-in-crossflow was first conducted to generate appropriate partially-premixed inflow boundary conditions for the subsequent reacting simulation. The resulting flame can be described as an predominantly-lean inhomogeneously-premixed lifted jet flame. Five main zones were identified: a jet mixing region, a core flame, a peripheral flame, a recirculation zone, and combustion products. The core flame, situated over the jet mixing region, was found to burn as a thin reaction front, responsible for over 85% of the total fuel consumption. The peripheral flame shrouded the core flame, had low mean flow with high turbulence, and burned at very lean conditions (in the distributed burning regime). It was shown that turbulent premixed flame propagation was an order-of-magnitude too slow to stabilise the flame at these conditions. Stabilisation was identified to be due to ignition events resulting from turbulent mixing of fuel from the jet into mean recirculation of very lean hot products. Ignition events were found to correlate with shear-driven Kelvin-Helmholtz vortices, and increased in likelihood with streamwise distance. At the flame base, isolated events were observed, which developed into rapidly burning flame kernels that were blown downstream. Further downstream, near-simultaneous spatially-distributed ignition events were observed, which appeared more like ignition sheets. The paper concludes with a broader discussion that considers generalising from the conditions considered here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symbolic construction of the chemical Jacobian of quasi-steady state (QSS) chemistries for Exascale computing platforms

The Quasi-Steady State Approximation (QSSA) can be an effective tool for reducing the size and stiffness of chemical mechanisms for implementation in computational reacting flow solvers. However, for many applications, the resulting model still requires implicit methods for efficient time integration. Here, in this paper, we outline an approach to formulating the QSSA reduction that is coupled with a strategy to generate C++ source code to evaluate the net species production rates, and the chemical Jacobian. The code-generation component employs a symbolic approach enabling a simple and effective strategy to analytically compute the chemical Jacobian. For computational tractability, the symbolic approach needs to be paired with common subexpression elimination which can negatively affect memory usage. Several solutions are outlined and successfully tested on a 3D multipulse ignition problem, thus allowing portable application across chemical model sizes and GPU capabilities. The implementation of the proposed method is available at https://github.com/AMReX-Combustion/PelePhysics under an open-source license.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational diagnostics and characterization of combustion recession in diesel sprays

While low-temperature combustion (LTC) strategies have been found to mitigate nitrogen oxides and particulate matter emissions in diesel engines, studies have also associated LTC with an increase in unburnt hydrocarbons. With more recent studies on diesel after end-of-injection (AEOI), combustion recession is identified as a phenomenon where at near nozzle region, high-temperature ignition (HTI) combustion can propagate back to the nozzle tip consuming the unburnt hydrocarbons AEOI. Current literature has suggested that combustion recession is controlled by auto-ignition. However, high-fidelity simulations and detailed analysis of such a mechanism are missing. In this study, comprehensive Large Eddy Simulations of a reacting spray at “Spray A” conditions are performed, where detailed analysis of combustion recession concerning flame morphology and propagation modes are included. In particular, this study demonstrated for the first time that while combustion recession is mainly auto-ignition dominated (consistent with the literature), a cool flame was found to deflagrate towards the richer regions of the mixture, promoting mixing and increasing the mixture temperature. This leads to HTI kernels, which then grow and develop as deflagrative waves, therefore sustaining the combustion recession process. The study also detailed the extinction mechanism of combustion: the entrainment wave will overlean the near-nozzle mixtures, rendering it unable to support HTI, which leads to the extinction of the upstream flame AEOI in lower reactivity mixtures. Combustion recession is also observed to be contingent on the chemical and diffusion processes, even at low scalar dissipation rates. Finally, a new criterion for combustion recession based on chemical explosive mode is proposed and validated with previous combustion recession index to quantify the extent of HTI in near-nozzle mixtures AEOI. The newly developed metric combined with a previous experimentally-based metric can provide simple but valuable measurements of the degree and propensity of the upstream flame AEOI.

CEMA↗

Experimental and theoretical investigation into the high pressure deflagration products of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Diamond anvil cell (DAC) laser ignition experiments and reactive ab initio molecular dynamics (AIMD) simulations were performed on the high explosive (HE) LLM-105 to investigate its high pressure (HP) deflagration chemistry. Raman and optical spectroscopy measurements reveal LLM-105 reacts into an opaque carbonaceous product at 4–25 GPa. At pressures >~ 27 GPa, the reaction product consists of an amorphous optically transparent solid and nitrogen (N 2 ) in the solid phase. While not a one-to-one comparison due to the small time and length scales, the HP AIMD simulations show that some of the product is molecular N 2 , in qualitative agreement with experiment, while above 20 GPa most of the product consists of large amorphous C x H y N z O k clusters. Clustering is enhanced with pressure and reduces with temperature. In the experiments with initial sample pressure >~ 25 GPa, the pressure within the DAC decreases with minimal change in DAC cavity area. At initial sample pressures of 43.9 GPa, when quenched to 0 K, simulations predict a product experiencing a lower pressure consistent with the experimental measurement at lower load pressures. In conclusion, the results are important for understanding the HP deflagration chemistry of LLM-105.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding and design of interstitial oxygen conductors

Highly efficient oxygen-active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy-mediated oxygen-ion conductors have long been the focus of research, they are limited by high migration barriers at intermediate temperatures (400–600 °C), which hinder their practical applications. In contrast, interstitial oxygen conductors exhibit significantly lower migration barriers enabling higher ionic conductivity at lower temperatures. This review systematically examines both well-established and recently identified families of interstitial oxygen-ion conductors, focusing on how their unique structural motifs such as corner-sharing polyhedral frameworks, isolated polyhedral, and cage-like architectures, facilitate low migration barriers through interstitial and/or interstitialcy diffusion mechanisms. A central discussion of this review focuses on the evolution of design strategies, from targeted donor doping, element screening, to physical-intuition descriptor material screening and machine learning approach, which leverage computational tools to explore vast chemical spaces in search for new interstitial conductors. The success of these strategies demonstrates that a significant, largely unexplored space remains for discovering high-performing interstitial oxygen conductors. Crucial features enabling high-performance interstitial oxygen diffusion include the availability of electrons for oxygen reduction and sufficient structural flexibility with accessible volume for interstitial accommodation and migration. This review concludes with a forward-looking perspective, proposing a knowledge-driven methodology that integrates current understanding with data-centric approaches to identify promising interstitial oxygen conductors outside traditional search paradigms. These approaches are expected to significantly accelerate the development of high-performance interstitial oxygen conductors for a variety of oxygen-active applications, ultimately paving the way for more efficient and sustainable energy technologies.

Interstitial oxygen conductors↗

Dynamic fracture of glass fiber-reinforced ductile polymer matrix composites and loading rate effect

Here, the dynamic fracture of S-2 glass fiber-reinforced polymer matrix composites (FRPMCs) was investigated in this study. The matrix ductility was improved by a recently developed network topology modification technique via mixing partially reacted substructures (mPRS). The composite material was manufactured and characterized by micro-CT scanning and scanning electron microscopy (SEM). Dynamic single-edge notched bending (d-SENB) experiments were performed on the composites by using a modified split-Hopkinson pressure bar. Each specimen’s fracture process was visualized by ultrafast X-ray imaging. Such in-situ radiography enabled identifying the damage initiation below 50-micron scale and inspecting its propagation through the internal structures of opaque composites, thereby accurately quantifying the composites’ mechanical properties. Furthermore, the identical d-SENB experiments were designed and the digital image correlation (DIC) was employed to monitor the stress wave propagation on the composite specimens. The force and deflection measurements were modified and correlated to the physical damage processes. Besides, quasi-static SENB experiments were conducted to identify the loading rate effects on the composites’ fracture behaviors. The force and deflection history, bending stiffness, energy dissipation, and fracture toughness at different loading rates were quantified and compared. Finally, post-fracture analysis by micro-CT scanning and SEM provided physical observations on the variation of the fracture morphology by different loading rates.

42 ENGINEERING↗

A method for characterization of multiple dynamic constitutive parameters of FRCs

We propose a method to measure multiple dynamic material constitutive parameters of unidirectional fiber reinforced composites (FRCs) in a single experiment. Dynamic short-beam shear (DSBS) experiments were performed on a modified Kolsky compression bar, with integration of high-speed imaging and digital image correlation (DIC). The unidirectional FRCs investigated were S-2 glass fiber reinforced matrix of TGDDM-Jeffamine® D230 with monoamine functionalized partially reacted substructures (mPRS) and commercially available SC-15. Analytical solutions of normal and shear strains of a composite beam were derived based on Timoshenko beam theory, assuming material to be transversely isotropic and have different moduli in tension and compression in each principle material orientation. Tensile and compressive moduli were inversely computed through monitoring normal strain slope when specimen was constantly loaded at a speed of ~7.3 m/s within a small deflection. Non-linear shear stress-strain behavior of the composite was described via Ramberg–Osgood equation. Finite element (FE) analysis was conducted in ABAQUS, simultaneously defining via user subroutine UMAT the transverse isotropy of material, bi-modulus constitutive model, and non-linear shear stress-strain relation. The method proposed in this work was validated by comparing strain distributions computed by FE model and DIC measurements. Comparing with traditional dynamic tensile, compressive, and shear experiments on FRCs, this method significantly simplifies the specimen preparation and design of complicated gripping fixtures for multiple experiments. Here, systematic errors resulting from variations of specimen geometry and dimension, loading direction, and instrumentation are reduced, thereby providing compatible data for numerical studies on impact behavior of composites.

36 MATERIALS SCIENCE↗

MFC 5.0: An exascale many-physics flow solver

Many problems of interest in engineering, medicine, and the fundamental sciences rely on high-fidelity flow simulation, making performant computational fluid dynamics solvers a mainstay of the open-source software community. Previous work MFC 3.0 was made a published, documented, and open-source solver via Bryngelson et al. Comp. Phys. Comm. (2021) with numerous physical features, numerical methods, and scalable infrastructure. MFC 5.0 is a significant update to MFC 3.0, featuring a broad set of well-established and novel physical models and numerical methods, as well as the introduction of GPU and APU (or superchip) acceleration. Here, we exhibit state-of-the-art performance and ideal scaling on the first two exascale supercomputers, OLCF Frontier and LLNL El Capitan. Combined with MFC’s single-accelerator performance, MFC achieves exascale computation in practice, and achieved the largest-to-date public CFD simulation at 200 trillion grid points as a 2025 ACM Gordon Bell Prize finalist. New physical features include the immersed boundary method, N-fluid phase change, Euler–Euler and Euler–Lagrange sub-grid bubble models, fluid-structure interaction, hypo- and hyper-elastic materials, chemically reacting flow, two-material surface tension, magnetohydrodynamics (MHD), and more. Numerical techniques now represent the current state-of-the-art, including general relaxation characteristic boundary conditions, WENO variants, Strang splitting for stiff sub-grid flow features, and low Mach number treatments. Weak scaling to tens of thousands of GPUs on OLCF Summit and Frontier and LLNL El Capitan achieves efficiencies within 5% of ideal to over 90% of their respective system sizes. Strong scaling results for a 16-times increase in device count show parallel efficiencies over 90% on OLCF Frontier. MFC’s software stack has undergone further improvements, including continuous integration, which ensures code resilience and correctness through over 300 regression tests; metaprogramming, which reduces code length while maintaining performance portability; and code generation for computing chemical reactions

Computational fluid dynamics↗

Reaction of N 2 O with the prototype singlet biradical CH 2 : A theoretical study

Nitrous oxide (N 2 O) is currently the most important ozone-depleting substance emission and is a potent greenhouse gas. It is also a remarkably unreactive chemical species. Any loss processes for N 2 O in the troposphere and combustion can be important. Therefore, as part of an effort to investigate how N 2 O reacts with prototypical chemical species, its reaction with singlet methylene (CH 2 ) is studied here using high accuracy thermochemistry mHEAT-345(Q) calculations, together with two-dimensional (E,J) master equation simulations. Two distinct mechanisms (an addition/elimination and an O-abstraction) have been characterized. The reaction is found to be very fast with a negative temperature dependence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure

Acetylcholinesterase (AChE) catalyzes hydrolysis of acetylcholine thereby terminating cholinergic nerve impulses for efficient neurotransmission. Human AChE (hAChE) is a target of nerve agent and pesticide organophosphorus compounds that covalently attach to the catalytic Ser203 residue. Reactivation of inhibited hAChE can be achieved with nucleophilic antidotes, such as oximes. Understanding structural and electrostatic (i.e. protonation states) determinants of the catalytic and reactivation processes is crucial to improve design of oxime reactivators. Here we report X-ray structures of hAChE conjugated with a reversible covalent inhibitor 4K-TMA (4K-TMA:hAChE) at 2.8 Å resolution and of 4K-TMA:hAChE conjugate with oxime reactivator methoxime, MMB4 (4K-TMA:hAChE:MMB4) at 2.6 Å resolution, both at physiologically relevant room temperature, as well as cryo-crystallographic structure of 4K-TMA:hAChE at 2.4 Å resolution. 4K-TMA acts as a substrate analogue reacting with the hydroxyl of Ser203 and generating a reversible tetrahedral hemiketal intermediate that closely resembles the first tetrahedral intermediate state during hAChE-catalyzed acetylcholine hydrolysis. Structural comparisons of room temperature with cryo-crystallographic structures of 4K-TMA:hAChE and published mAChE complexes with 4K-TMA, as well as the effect of MMB4 binding to the peripheral anionic site (PAS) of the 4K-TMA:hAChE complex, revealed only discrete, minor differences. The active center geometry of AChE, already highly evolved for the efficient catalysis, was thus indicative of only minor conformational adjustments to accommodate the tetrahedral intermediate in the hydrolysis of the neurotransmitter acetylcholine (ACh). To map protonation states in the hAChE active site gorge we collected 3.5 Å neutron diffraction data paving the way for obtaining higher resolution datasets that will be needed to determine locations of individual hydrogen atoms.

4K-TMA↗

Comparative techno-economic analysis of synthetic renewable natural gas production via reactive CO 2 capture and conversion

Reactive CO 2 capture and conversion (RCC) is an emerging carbon management strategy that integrates CO 2 capture and conversion and avoids intermediate CO 2 purification. In this study, we design an RCC process to capture atmospheric CO 2 and react it with renewable hydrogen to produce synthetic renewable natural gas (SRNG), which serves as a carbon-neutral energy source and a chemical form of long-duration renewable energy storage. We assess the technological potential of RCC through process modeling, techno-economic, carbon footprint, and sensitivity analyses. Our findings demonstrate that RCC offers energy savings and comparable cost to separated capture and conversion processes. The cost is dominated by renewable hydrogen and material replacement cost. SRNG produced via RCC is competitive with existing low-carbon natural gas technologies and presents a promising low-cost option for long-duration energy storage. This work highlights the potential for deploying RCC technologies within a circular carbon economy and the scientific and technical challenges that must be overcome for material and technology developers.

03 NATURAL GAS↗

Numerical investigation of mixing and heat transfer in a 7.9 m JP-8 pool fire

The response of objects engulfed in, and adjacent to, large-scale pool fires is of interest in accident and safety assessments. In this study, Fuego, a low-Mach turbulent reacting flow code was used to study conjugate heat transfer in a 7.9 m diameter JP-8 pool fire. Simulations were designed to replicate past experimental measurements (Blanchat et al., 2006) of incident heat flux to three cylindrical calorimeters in and around the pool fire. Two turbulent combustion models were compared directly - the eddy dissipation concept and a more recently developed unsteady flamelet model. First and second order spatial and temporal discretization schemes were also compared to assess the performance of low-dissipation numerical operators. Heat flux predictions to the transportation size calorimeter outside the fire were within experimental uncertainties. Inside the fire, experimental measurements were higher than predicted values and may have been a consequence of soot deposition and augmented participating media radiation from soot and fuel vapor. Simulation predictions improved in cases where turbulent kinetic energy and mixing were more resolved. This work, and others referenced herein, suggest that spatial resolution on the order of 0.5–1.0 cm may be required to fully resolve fluid instabilities, vortex production between fire plumes and crosswind, soot production, and fuel-air mixing. This presents a substantial computational challenge for safety assessments of engulfed objects in fully turbulent pool fires.

Conjugate heat transfer↗

The transformation of diamond to graphite: Experiments reveal the presence of an intermediate linear carbon phase

Natural diamonds that have been partially replaced by graphite have been observed to occur in natural rocks. While the graphite-to-diamond phase transition has been extensively studied the opposite of this (diamond to graphite) remains poorly understood. We performed high-pressure and temperature hydrous and anhydrous experiments up to 1.0 GPa and 1300 °C using Amplex premium virgin synthetic diamonds (20–40 μm size) as the starting material mixed with Mg(OH) 2 as a source of H 2 O for the hydrous experiments. The experiments revealed that the diamond-to-graphite transformation at P = 1.0 GPa and T = 1300 °C was triggered by the presence of H 2 O and was accomplished through a three-stage process. Stage 1: diamond reacts with a supercritical H 2 O producing an intermediate 200–500 nm size “globular carbon” phase. This phase is a linear carbon chain; i.e. a polyyne or carbyne. Stage 2: the linear carbon chains are unstable and highly reactive, and they decompose by zigzagging and cross-linking to form sp 2 -hybridized structures. Stage 3: normal, disordered, and onion-like graphite is produced by the decomposition of the sp-hybridized carbon chains which are re-organized into sp 2 bonds. Our experiments show that there is no direct transformation from sp 3 C-bonds into sp 2 C-bonds. Our hydrous high-pressure and high-temperature experiments show that the diamond-to-graphite transformation requires an intermediate metastable phase of a linear hydrocarbon. This process also provides a simple mechanism for the substitution of other elements into the graphite structure (e.g. H, S, O).

36 MATERIALS SCIENCE↗

An electrochemical study of hydrogen in molten 2LiF-BeF 2 (FLiBe) with addition of LiH

The chemical and transport behavior of hydrogen isotopes in molten 2LiF-BeF 2 (FLiBe) is of interest for the design of tritium management systems in nuclear fission and fusion reactors that use FLiBe. The chemical reaction of LiH with FLiBe is used to introduce hydrogen in the molten salt and electrochemical methods are used for in situ studies of hydrogen in FLiBe. LiH reacts with molten FLiBe to generate an electroactive species whose voltammetry peak is proportional to the added quantity of LiH. The cyclic voltammetry reaction potential of 2.009 ± 0.050 V vs Be/Be 2+ and the electron exchange of n = 0.8 ± 0.5 are consistent with the one-electron oxidation of dissolved H in the zero valence state, H o to H + . The concentration of H o is estimated by linear sweep voltammetry at 60–80% of the hydrogen introduced by the reaction of 0.42 mol% LiH with FLiBe and after eleven hours it remains above 40%. It is postulated that covalent BeH 2 is formed in FLiBe upon LiH addition, as a FLiBe-soluble quasi-stable intermediate product. Furthermore, the results provide an evaluation of LiH as a means of introducing dissolved hydrogen in FLiBe, enabling electrochemical methods as tools to advance the understanding of the chemistry of hydrogen isotopes in FLiBe.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Transient simulation of biomass combustion in a circulating fluidized bed riser

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has sky-rocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing, which results in higher combustion efficiency and the ability to use lower rank fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions, while SO 2 emissions can be conveniently controlled through the addition of Ca-based sulfur sorbents within the combustor. Herin this paper summarizes the modeling effort on a 50 kW th CFB combustor designed, built, and operated at CanmetENERGY in Ottawa, Canada. The numerical model employs the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The MFiX-PIC model parameters for the simulation are tuned against cold-flow experiments from CanmetENERGY using olivine sand as the inert bed material. It is shown that for the relatively coarse fluid meshes and large parcel sizes necessitated by the scale of the simulation, filter size dependent corrections to the drag law must be incorporated to ensure accuracy of the simulation results. The validated cold flow model is extended to simulate reacting flow with torrefied hardwood as the feedstock and to validate the combustion reaction scheme. The species concentrations at the riser outlet are compared against CanmetENERGY’s experiments and show satisfactory agreement. The simulations demonstrate the ability of MFiX-PIC to accurately capture both the physics and chemistry of a CFB combustor at bench scales, which can be further extended to pilot- and industrial-scale systems.

09 BIOMASS FUELS↗

Short-Run Marginal Emission Factors Neglect Impactful Phenomena and are Unsuitable for Assessing the Power Sector Emissions Impacts of Hydrogen Electrolysis

This comment reacts to Ruhnau and Schiele's (2023) assessment of the cost and emissions impacts of electrolytic hydrogen production operating under different green hydrogen certification requirements in the EU. We critique the paper's use of short-run marginal emissions rates to estimate emissions impacts, a methodology which the literature has shown to be inadequate for assessing the full lifecycle emissions impacts of electricity sector interventions. We hope that our response clarifies the need to consider induced structural change when assessing the greenhouse gas emissions impacts of electricity sector decisions at all scales.

electricity↗