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At least 1,369 records · Page 76

Highly Selective Electrolytic Reduction of CO 2 to Ethylene

We investigate the reduction of CO 2 to ethylene across buffered anolyte pH values 4 to 14 using a copper–phosphorus (Cu–P) electrocatalyst in a zero-gap membrane electrode assembly. Electrochemical CO 2 reduction using alkaline electrolytes typically shows limited carbon efficiencies and single-pass efficiencies, while acidic conditions typically favor the hydrogen evolution reaction. Results from this work show that weakly phosphate-buffered acidic anolytes (pH 6) maximize ethylene production with a 73% FE at 300 mA cm –2 and 51% FE at 500 mA cm –2 , including a 51% single-pass CO 2 conversion efficiency for over 400 h of continuous operation. We propose a mechanism based on pH-dependent CO coverage that controls the selectivity at the *HCCOH intermediate. Low CO coverage at pH 6 favors hydroxide elimination to *CCH, yielding ethylene (98% of C 2 products), while high coverage at pH 14 promotes hydrogenation to ethanol (44% of C 2 ). The HER mechanism transitions from H 2 O-mediated at pH 14 to phosphate-mediated (H 2 PO 4 – /HPO 4 2– ) at weakly acidic pH, minimizing HER competition at pH 6. This mechanistic understanding enables controlled C 2 product selectivity through manipulation of the CO coverage and local proton activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring the Effects of Node Topology, Connectivity, and Metal Identity on the Binding of Nerve Agents and Their Hydrolysis Products in Metal–Organic Frameworks

Recent studies have shown that metal–organic frameworks (MOFs) built from hexanuclear M(IV) oxide cluster nodes are effective catalysts for nerve agent hydrolysis, where the properties of the active sites on the nodes can strongly influence the reaction energetics. The connectivity and metal identity of these M6 nodes can be easily tuned, offering extensive opportunities for computational screening to predict promising new materials. Thus, we used density functional theory (DFT) to examine the effects of node topology, connectivity, and metal identity on the binding energies of multiple nerve agents and their corresponding hydrolysis products. By computing an optimization metric based on the relative binding strengths of key hydrolysis reaction species (water, agent, and bidentate-bound products), we predicted optimal M6 nodes for hydrolyzing specific nerve agent and simulant molecules, where our results are in qualitative agreement with observed experimental trends. This analysis highlighted the notion that no single metal or node topology is optimal for all possible organophosphates, suggesting that MOFs should be selected based on the agent of interest. Using the large amount of data generated from our DFT calculations, we then derived quantitative structure–activity relationship (QSAR) models to help explain the complex trends observed in the binding energies. Through linear regression, we identified the most important descriptors for describing the binding of nerve agents and their hydrolysis products to M6 nodes. These results suggested that both molecular and node properties, including both structural and chemical features, collectively contribute to the binding energetics. By performing a thorough statistical analysis, we showed that our QSAR models are capable of making quantitatively accurate binding energy predictions for nerve agents and their hydrolysis products in a wide variety of M(IV)-MOFs. In conclusion, the insights gained herein can be used to guide future experiments for the synthesis of MOFs with enhanced catalytic activity for organophosphate hydrolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pyrolyzed Triazine-Based Nanoporous Frameworks Enable Electrochemical CO 2 Reduction in Water

The first study of rational synthesis of triazine-based nanoporous frameworks as electrocatalysts for CO 2 reduction reaction (CO 2 RR) was presented. The resulting optimized framework with rich pyridinic nitrogen-containing sites can selectively reduce CO 2 to CO in water with a high Faradic efficiency of ca. 82% under a moderate overpotential of 560 mV. The key of our success lies in the use of pyridine-based backbones as sacrificial groups inside the triazine framework for in situ generation of CO 2 RR-active pyridinic N-doped sites during the high-temperature ZnCl 2 -promoted polymerization process. We anticipate that this study may facilitate new possibilities for the development of porous organic polymers for electrochemical conversion of CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analyses of circular solutions for advanced plastics waste recycling

A circular plastics economy can leverage the lightweight, strong and durable characteristics of macromolecular materials, while simultaneously reducing the negative environmental impacts associated with polymer waste. Advanced recycling technologies provide an opportunity to valorize plastics waste and extend the lifespan of these materials by converting waste into new monomers, polymers or specialty chemicals. Although many advanced technologies appear promising, assessments of economic and environmental sustainability are often not conducted in a standardized fashion and neglect factors such as plastics waste transportation, sorting and pretreatment. These shortcomings can lead to inaccurate or misleading predictions, reduce opportunities for optimization and limit industrial relevance. In this Review, we highlight select industrial case studies to underscore the notable consequences of underestimating the complexity of real-life consumer plastics waste. In addition, the current challenges associated with the assessment of the industrial viability of laboratory-scale processes are explored. Here, by discussing relevant analysis frameworks and system boundaries, along with potential analytical pitfalls, future research will be guided beyond chemical considerations and toward impactful circular solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Combustion synthesis of LaFeO{sub 3} sensing nanomaterial

Since industrial revolution, human activities drive towards unsustainable global economy due to the overexploitation of natural resources and the unacceptable emissions of pollution and greenhouse gases. In order to address that issue, engineering research has been focusing on gas sensors development for monitoring gas emissions and controlling the combustion process sustainability. Semiconductors metal oxides sensors are attractive technology because they require simple design and fabrication, involving high accessibility, small size and low cost. Perovskite oxides are the most promising sensing materials because sensitivity, selectivity, stability and speed-response can be modulated and optimized by changing the chemical composition. One of the most convenient synthesis process of perovskite is the citrate-nitrate auto-combustion method, in which nitrate is the oxidizing agent and citrate is the fuel and the chelating argent in the same time. Since the sensibility of perovskite oxides depends on the defective crystallographic structure and the nanomorphology, the experimental was designed in order to study the dependence of powder properties on the synthesis conditions, such as the solution acidity and the relative amount of metals, nitrates and citric acid. Crystalline structure was studied in depth for defining the effects of synthesis conditions on size, morphology and crystallographic structure of nanopowders of LaFeO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Compatibility of Type 304H Stainless Steel in Static Molten FLiBe for Inertial Confinement Fusion Reactors: Role of Impurities and Redox Control

Molten fluoride salts, such as FLiBe (LiF-BeF2), are promising candidates for tritium breeding and heat transfer in fusion reactors, but corrosion of structural materials remains a major challenge. This study investigates the corrosion behavior of austenitic stainless steel 304H in purified and NiF2-containing FLiBe at 500°C and 600°C, focusing on the effects of impurities and redox control. Exposure to purified FLiBe resulted in the concurrent depletion of Cr, Mn, and Fe, with corrosion at 500 °C dominated by the combined oxide formation and elemental dissolution, while at 600°C elemental depletion was predominant. The addition of a controlled NiF2 impurity significantly accelerated corrosion at both temperatures, demonstrating the sensitivity of 304H to the salt redox state. Beryllium additions were effective in mitigating corrosion for both baseline and NiF2-containing FLiBe; minimal depletion of Cr, Mn, and Fe occurred with Be additions as low as 2.5 mg (147 wppm), and no NiBe intermetallics formed at 5 mg (294 wppm), indicating that small Be inventories can provide substantial protection without deleterious phase formation. Thermodynamic equilibrium and coupled thermodynamic-kinetic analyses at the salt-alloy interface suggested low corrosion rates in systems with limited hydrogen fluoride (HF) generation, highlighting the importance of salt redox control. Estimates for a Be addition rate were calculated for the HYLIFE-II fusion reactor that can mitigate corrosion-induced degradation, assuming complete conversion of tritium to tritium fluoride (TF). Overall, 304H shows reasonable compatibility with FLiBe under optimized redox conditions. These results provide quantitative guidance for material selection and salt management in fusion blanket and heat exchanger systems and motivate validation under flowing, nonisothermal, and irradiated conditions.

Pillai, Rishi [ORNL] (ORCID:0000000243688197)↗

Abundance matching analysis of the emission-line galaxy sample in the extended Baryon Oscillation Spectroscopic Survey

We present the measurements of the small-scale clustering for the emission-line galaxy (ELG) sample from the extended Baryon Oscillation Spectroscopic Survey (eBOSS) in the Sloan Digital Sky Survey IV (SDSS-IV). We use conditional abundance matching method to interpret the clustering measurements from 0.34 to 70 h -1 Mpc. In order to account for the correlation between properties of ELGs and their environment, we add a secondary connection between star formation rate of ELGs and halo accretion rate. Three parameters are introduced to model the ELG [O II ] luminosity and to mimic the target selection of eBOSS ELGs. The parameters in our models are optimized using Markov Chain Monte Carlo (MCMC) method. We find that by conditionally matching star formation rate of galaxies and the halo accretion rate, we are able to reproduce the eBOSS ELG small-scale clustering within 1σ error level. Our best-fitting model shows that the eBOSS ELG sample only consists of ~ 12 per cent of all star-forming galaxies, and the satellite fraction of eBOSS ELG sample is 19.3 per cent. We show that the effect of assembly bias is ~ 20 per cent on the two-point correlation function and ~ 5 per cent on the void probability function at scale of r ~ 20 h -1 Mpc.

79 ASTRONOMY AND ASTROPHYSICS↗

Nonreciprocal signal routing in an active quantum network

As superconductor quantum technologies are moving towards large-scale integrated circuits, a robust and flexible approach to routing photons at the quantum level becomes a critical problem. Active circuits, which contain parametrically driven elements selectively embedded in the circuit, offer a viable solution. In this work, we present a general strategy for routing nonreciprocally quantum signals between two sites of a given lattice of oscillators, implementable with existing superconducting circuit components. Our approach makes use of a dual lattice of overdamped oscillators linking the nodes of the main lattice. Solutions for spatially selective driving of the lattice elements can be found, which optimally balance coherent and dissipative hopping of microwave photons to nonreciprocally route signals between two given nodes. In certain lattices these optimal solutions are obtained at the exceptional point of the dynamical matrix of the network. We also demonstrate that signal and noise transmission characteristics can be separately optimized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Capturing high‐resolution digital images for use in forensic document examination

Abstract In the past, pattern disciplines within forensic science have periodically faced criticism due to their subjective and qualitative nature and the perceived absence of research evaluating and supporting the foundations of their practices. Recently, however, forensic scientists and researchers in the field of pattern evidence analysis have developed and published approaches that are more quantitative, objective, and data driven. This effort includes automation, algorithms, and measurement sciences, with the end goal of enabling conclusions to be informed by quantitative models. Before employing these tools, forensic evidence must be digitized in a way that adequately balances high‐quality detail and content capture with minimal background noise imparted by the selected technique. While the current work describes the process of optimizing a method to digitize physical documentary evidence for use in semi‐automated trash mark examinations, it could be applied to assist other disciplines where the digitization of physical items of evidence is prevalent. For trash mark examinations specifically, it was found that high‐resolution photography provided optimal digital versions of evidentiary items when compared to high‐resolution scanning.

Riley, Paige↗

SU-F-T-649: Dosimetric Evaluation of Non-Coplanar Arc Therapy Using a Novel Rotating Gamma Ray System

Purpose: Stereotactic intra and extra-cranial body radiation therapy has evolved with advances in treatment accuracy, effective radiation dose, and parameters necessary to maximize machine capabilities. Novel gamma systems with a ring type gantry were developed having the ability to perform oblique arcs. The aim of this study is to explore the dosimetric advantages of this new system. Methods: The rotating Gamma system is named CybeRay (Cyber Medical Corp., Xian, China). It has a treatment head of 16 cobalt-60 sources focused to the isocenter, which can rotate 360° on the ring gantry and swing 35° in the superior direction. Treatment plans were generated utilizing our in-house Monte Carlo treatment planning system. A cylindrical phantom was modeled with 2mm voxel size. Dose inside the cylindrical phantom was calculated for coplanar and non-coplanar arcs. Dosimetric differences between CybeRay cobalt beams and CyberKnife 6MV beams were compared in a lung phantom and for previously treated SBRT patients. Results: The full width at half maxima of cross profiles in the S-I direction for the coplanar setup matched the cone sizes, while for the non-coplanar setup, FWHM was larger by 2mm for a 10mm cone and about 5mm for larger cones. In the coronal and sagittal view, coplanar beams showed elliptical shaped isodose lines, while non-coplanar beams showed circular isodose lines. Thus proper selection of the oblique angle and cone size can aid optimal dose matching to the target volume. Comparing a single 5mm cone from CybeRay to that from CyberKnife showed similar penumbra in a lung phantom but CybeRay had significant lower doses beyond lung tissues. Comparable treatment plans were obtained with CybeRay as that from CyberKnife.ConclusionThe noncoplanar multiple source arrangement of CybeRay will be of great clinical benefits for stereotactic intra and extra-cranial radiation therapy.

60 APPLIED LIFE SCIENCES↗

Evaluation and Specifications for In-Line Uranium Separations Using Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES) Detection for Trace Elemental Analysis

Automated introduction platforms integrated with inductively coupled plasma optical emission spectroscopy (ICP-OES) systems are continuously being improved. Expanding on the introduction systems, a newly developed automated ion chromatography system was explored for performing rapid in-line separations coupled to ICP-OES for the detection of trace elements in uranium. Trace elements are separated from a uranium material and the analytes are directed into the ICP-OES for subsequent detection. Detection parameters such as exposure time frequency, wavelength selection, and settling times were explored to gain insight on optimal detection schemes for in-line trace elemental analysis. The methodology was applied in the analysis of a uranium oxide (U3O8) certified reference material, CRM-124. It was found here that the sensitivity and uncertainty of the technique are greatly affected by how the ICP-OES is employed to collect data. Overall it was determined that faster exposure replicates can provide greater peak resolution with higher fidelity measurements but are limited with respect to the total analysis time (i.e., limited in detection timely separations). In conclusion zeta scores, which combine accuracy and uncertainty of certified values and experimental values, were used to validate the ICP-OES modes of operation.

47 OTHER INSTRUMENTATION↗

Driving Zn-MnO2 grid-scale batteries: A roadmap to cost-effective energy storage

Highlights Zn-MnO 2 batteries promise safe, reliable energy storage, and this roadmap outlines a combination of manufacturing strategies and technical innovations that could make this goal achievable. Approaches such as improved efficiency of manufacturing and increasing active material utilization will be important to getting costs as low as $100/kWh, but key materials innovations that facilitate the full 2-electron capacity utilization of MnO 2 , the use of high energy density 3D electrodes, and the promise of a separator-free battery with greater than 2V potential offer a route to batteries at $50/kWh or less. Abstract Large-scale energy storage is certain to play a significant, enabling role in the evolution of the emerging electrical grid. Battery-based storage, while not a dominant form of storage today, has opportunity to expand its utility through safe, reliable, and cost-effective technologies. Here, secondary Zn–MnO 2 batteries are highlighted as a promising extension of ubiquitous primary alkaline batteries, offering a safe, environmentally friendly chemistry in a scalable and practical energy dense technology. Importantly, there is a very realistic pathway to also making such batteries cost-effective at price points of $50/kWh or lower. By examining manufacturing examples at the Zn–MnO 2 battery manufacturer Urban Electric Power, a roadmap has been created to realize such low-cost systems. By focusing on manufacturing optimization through reduced materials waste, scalable manufacturing, and effective materials selection, costs can be significantly reduced. Ultimately, though, coupling these approaches with emerging research and development advances to enable full capacity active materials utilization and battery voltages greater than 2V are likely needed to drive costs below a target of $50/kWh. Reaching this commercially important goal, especially with a chemistry that is safe, well-known, and reliably effective stands to inject Zn–MnO 2 batteries in the storage landscape at a critical time in energy storage development and deployment. Graphical abstract

Spoerke, Erik D. (ORCID:0000000322862560)↗

Relating Quantitative Soil Structure Metrics to Saturated Hydraulic Conductivity

Core Ideas Soil structure quantified in the field using a 3D laser scanning technique (MLT). MLT data and coefficient of linear extensibility combined into a structure metric. Soil water contents recorded at four depths in a field lysimeter and used in HYDRUS‐1D. Saturated conductivity ( K s ) estimated with a Markov chain Monte Carlo approach. New metric better correlated to K s in horizons with strong soil structure. Soil structure affects saturated hydraulic conductivity ( K s ) by creating highly conductive macropores that preferentially transmit soil water. In this study, we explored the relationship between K s and macropores in an Oxyaquic Vertic Argiudoll in northeastern Kansas. Macropores were quantified from an excavation wall using multistripe laser triangulation (MLT) scanning. Soil water contents were measured at four depths within a soil lysimeter installed within 2 m of the MLT‐scanned soil profile and adjacent to an Ameriflux tower monitoring precipitation, air temperature, and solar radiation. Selected hydraulic properties of soil horizons within the lysimeter were optimized to water content data using a Markov chain Monte Carlo technique in combination with the mobile–immobile water (MIM) model in HYDRUS‐1D. Estimates of K s varied between 4198 cm d −1 in the A horizon and 0.6 cm d −1 in a 2Btss2 horizon with strongly expressed wedge structure. Approximately 87% of the variation in K s was explained by the geometric mean of the widths of pores quantified with the MLT technique and modified by the coefficient of linear extensibility (COLE). The use of the COLE allows the widths of the macropores obtained under dry conditions to be approximated at saturation. Two models that predict K s from either texture or water retention data resulted in K s estimates that were similar to each other but significantly lower than K s values predicted with MIM in horizons where structural pores dominate water flow. This technique shows a great deal of promise in better understanding and predicting the relationship of soil structure to water flow.

Eck, Dennis V.↗

Structured Innovation of High-Performance Wave Energy Converter Technology: Preprint

Wave energy converter (WEC) technology development has not yet delivered the desired commercial maturity nor, and more importantly, the techno-economic performance. The reasons for this have been recognized and fundamental requirements for successful WEC technology development have been identified. This paper describes a multi-year project pursued in collaboration by the National Renewable Energy Laboratory and Sandia National Laboratories to innovate and develop new WEC technology. It specifies the project strategy, shows how this differs from the state-of-the-art approach and presents some early project results. Based on the specification of fundamental functional requirements of WEC technology, structured innovation and systemic problem solving methodologies are applied to invent and identify new WEC technology concepts. Using Technology Performance Levels (TPL) as an assessment metric of the techno-economic performance potential, high performance technology concepts are identified and selected for further development. System performance is numerically modelled and optimized and key performance aspects are empirically validated. The project deliverables are WEC technology specifications of high techno-economic performance technologies of TPL 7 or higher at TRL 3 with some key technology challenges investigated at higher TRL. These wave energy converter technology specifications will be made available to industry for further, full development and commercialisation (TRL 4 - TRL 9).

17 WIND ENERGY↗

Process Anomaly Detection for Sparsely Labeled Events in Nuclear Power Plants

An essential aspect of online monitoring, subtle anomaly detection increases the detection lead time for equipment failure and enables a nuclear power plant (NPP) to mitigate unexpected partial or full outages, resulting in significant cost saving to the plant. Once an anomaly is detected by plant staff, its cause and severity are investigated. Because the vast majority of anomalies require some level of investigation, including some that require time-consuming examination, before they are passed over to the engineering organization for further analysis, plants are often equipped with tools to assist the staff in performing anomaly detection. Those tools operate as a black box and are often based on statistical methods that establish sensor correlations using preconfigured mathematical models and flag correlation deviations as anomalies. Due to the number of anomalies detected at a given NPP on a daily basis, a significant number of flagged anomalies usually await examination for days or weeks. A primary cause of this backlog is that the methods used by the tools generate many false positives. Though this is usually attributed to oversensitive model settings due to very narrow normal operation bands, it can also be associated with the model development being inadequate for the process being monitored, or with missing model inputs that could have explained misclassified positives. The performance of anomaly detection tools impacts their plant acceptance and utilization, especially when the effort to address false positives generated by the tool depletes the value or cost saved by using that tool. Thus, means to advance anomaly detection performance have been investigated by the Department of Energy’s Light Water Reactor Sustainability program. Previous and ongoing efforts have targeted unsupervised machine-learning (ML) methods, which do not require the labeling of any data fed into the ML model. By contrast, in supervised anomaly detection methods, every data point is labeled as either a normal or abnormal process condition, and the model is trained to replicate the classification process. Supervised methods usually outperform unsupervised methods, due to the added value in differentiating normal from anomalous states of the monitored process. An NPP’s corrective action program requires it to track and document, via a dedicated report, the resolution of any issues that occur within the plant. Once created, each report is reviewed by a plant screening committee, and several classifications and decisions are made. Recently, a collaborating NPP developed an artificial intelligence and ML-based classifier to categorize a condition report (CR) into classes that can serve to label the data as normal or anomalous. Applying CRs as labels represents a semi-supervised use case. Semi-supervised ML assumes that labels exist for some data points (i.e., labeled anomalies, in this case) but not for the rest. In this effort, semi-supervised ML methods were used to fuse data from CRs with anomaly detection methods in order to test the hypothesis that partially labeled anomalies would improve the accuracy of the anomaly detection methods. Specifically, two methods were used. The first is the deep Semi-supervised Anomaly Detection (deep SAD) method, which can handle labels ranging from fully unsupervised to fully supervised cases. The second is a newly designed ML method developed specifically for this effort and referred to as the high-order feature (HOF)-based method. To evaluate these two methods in controlled environments, synthetic data generators were developed and used. The first datasets used a spring-mass-damper (SMD) system simulator commonly found in mechanical engineering references. This was used to create two use cases: a one- and a three-mass system. Anomalies were introduced by changing the spring and damper coefficients while the system was actuated by random forces. The second datasets used the commercial Dymola-Modelica software to build a simplified nuclear reactor model. Anomalies were added in the form of corrupted sensor readings and/or control commands. The deep SAD method was tested using the SMD system, while the HOF method was tested using both datasets. Application of the deep SAD semi-supervised ML method demonstrated that labels can generate increased confidence in detecting true anomalies. This helped increase the number of true positives and decrease the number of false negatives—something that would aid in addressing the backlog of possible anomalies. Application of the HOF method demonstrated that labels can aid in down selecting from a candidate set of features to a more optimal subset in order to better differentiate between normal and anomalous conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Catalytic Difunctionalization of Cyclic Dienes: Direct Entry to Novel ROMP Monomers

We developed a catalytic platform to convert simple hydrocarbon feedstocks into valuable, tunable materials by leveraging nickel-catalyzed difunctionalization of cyclic dienes to access a novel class of cyclic alkene monomers. These monomers undergo ring-opening metathesis polymerization (ROMP) to yield sequence-controlled polymers with defined stereochemistry. Through mechanistic studies and catalyst optimization, we established a scalable, gram-level synthesis for selective diarylation, and expanded the reaction scope to include arylalkylation through rationally tuning the organoboron coupling partner. The resulting polymers were systematically studied to understand how steric, electronic, and stereochemical features influence polymerization behavior and bulk material properties. Functionalized derivatives bearing sulfonated groups were explored as proton-exchange membranes, and chemical recycling pathways were developed to recover monomers from the final materials. This work bridges small-molecule catalysis and macromolecular design, enabling access to tunable, recyclable polymers from abundant hydrocarbon starting materials.

36 MATERIALS SCIENCE↗

Solution of Heliospheric Propagation: Unveiling the Local Interstellar Spectra of Cosmic-ray Species

Local interstellar spectra (LIS) for protons, helium, and antiprotons are built using the most recent experimental results combined with state-of-the-art models for propagation in the Galaxy and heliosphere. Two propagation packages, GALPROP and HelMod, are combined to provide a single framework that is run to reproduce direct measurements of cosmic-ray (CR) species at different modulation levels and at both polarities of the solar magnetic field. To do so in a self-consistent way, an iterative procedure was developed, where the GALPROP LIS output is fed into HelMod, providing modulated spectra for specific time periods of selected experiments to compare with the data; the HelMod parameter optimization is performed at this stage and looped back to adjust the LIS using the new GALPROP run. The parameters were tuned with the maximum likelihood procedure using an extensive data set of proton spectra from 1997 to 2015. The proposed LIS accommodate both the low-energy interstellar CR spectra measured by Voyager 1 and the high-energy observations by BESS, Pamela, AMS-01, and AMS-02 made from the balloons and near-Earth payloads; it also accounts for Ulysses counting rate features measured out of the ecliptic plane. The found solution is in a good agreement with proton, helium, and antiproton data by AMS-02, BESS, and PAMELA in the whole energy range.

79 ASTRONOMY AND ASTROPHYSICS↗

A kinetic modeling study on octane rating and fuel sensitivity under HCCI conditions

With the development of advanced compression ignition engines such as the homogeneous charge compression ignition (HCCI) and the reactivity controlled compression ignition (RCCI), the long existing research and motor octane rating for fuels, i.e., RON and MON, might be insufficient to describe the fuel reactivity and performance with these new combustion strategies due to their distinctive engine operation conditions. It is also noted that with the stringent regulation for CO2 emission, a detailed knowledge of fuel reactivity is urgently needed for the selection of novel alternative bio-fuels for transportation, and optimization of their engine performance in the future. It is therefore very important to understand the reactivity and sensitivity for general classes of fuels as a function of the operating conditions in these advanced combustion engines. In this modeling study, using validated kinetic mechanism for ignition, we have simulated the performance of different classes of fuels including hydrogen, alkanes (straight and branched), alcohols and potential bio-fuels under typical HCCI engine conditions using detailed chemical kinetics. The crank angle corresponding to 50% total heat release (CA50) is utilized as an indicator for the fuel reactivity. Iso-contours of CA50 are then plotted in the engine operating parameter coordinate, such as the intake temperature, and pressure. It is shown that CA50 value can vary significantly with different engine operating conditions, and that fuels with the same RON/MON even exhibit qualitatively different CA50 iso-contours in specific operating regimes, implying differences in the intrinsic reactivity of different classes of fuels, as well as the insufficiency of RON/MON as comprehensive metrics of fuel reactivity in advanced compression ignition (ACI) strategies. In addition, the operating regime with high and low sensitivity, as well as potential non-monotonic change in fuel reactivity, has been identified by the CA50 iso-contour map for all studied fuels.

Wu, Tong↗