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At least 1,135 records · Page 63

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DOE OSTI2024

Increasing Main Cooler Thermal Performance for sCO2 Power Cycles

Increasing sCO2 power cycle cooler performance will increase the efficiency and lower the cost of electricity for sCO2 power cycles. This work considered the heat transfer performance of two counter-flow, shell-and-tube heat exchangers using local measurements. The heat exchangers were constructed using commercial tubing. One heat exchanger was constructed with a conventional, smooth inner tube (7 mm nominal inner diameter). The other was constructed with an additively manufactured tube with a square cross section and angled rib turbulators. For mixed mean temperatures away from the pseudocritical temperature, the heat transfer coefficient matched the Dittus-Boelter correlation. As the mixed mean temperature approached the pseudocritical temperature, the heat transfer coefficient deviated from the Dittus-Boelter correlation due to transverse property variation and buoyancy. The local and average heat transfer coefficients for angled rib tubes were nominally 150% to 300% greater than the heat transfer coefficients for the smooth tube. Trends in heat exchanger effectiveness indicated that the ribs were most beneficial when the water flow rates were at the low end of the range considered: 0.016 – 0.126 kg/s. Using results from prior system modeling, it is anticipated that adding heat transfer enhancement features in a cycle cooler will increase the sCO2 cycle efficiency by 0.34 percentage points.

Searle, Matthew↗

DOE OSTI2022

Stabilization of the Polar Structure and Giant Second-Order Nonlinear Response of Single Crystal γ-NaAs 0.95 Sb 0.05 Se 2

The dearth of suitable materials significantly restricts the practical development of infrared (IR) laser systems with highly efficient and broadband tuning. Recently, γ-NaAsSe 2 is reported, and it exhibits a large nonlinear second-harmonic generation (SHG) coefficient of 590 pm V —1 at 2 µm. However, the crystal growth of γ-NaAsSe 2 is challenging because it undergoes a phase transition to centrosymmetric δ-NaAsSe 2 . Herein, the stabilization of non-centrosymmetric γ-NaAsSe 2 by doping the As site with Sb, which results in γ-NaAs 0.95 Sb 0.05 Se 2 is reported. The congruent melting behavior is confirmed by differential thermal analysis with a melting temperature of 450 °C and crystallization temperature of 415 °C. Single crystals with dimensions of 3 mm × 2 mm are successfully obtained via zone refining and the Bridgman method. The purification of the material plays a significant role in crystal growth and results in a bandgap of 1.78 eV and thermal conductivity of 0.79 Wm —1 K —1 . The single-crystal SHG coefficient of γ-NaAs 0.95 Sb 0.05 Se 2 exhibits an enormous value of |d 11 | = 648 ± 74 pm V —1 , which is comparable to that of γ-NaAsSe 2 and ≈20× larger than that of AgGaSe 2 . Importantly, the bandgap of γ-NaAs 0.95 Sb 0.05 Se 2 (1.78 eV) is similar to that of AgGaSe 2 , thus rendering it highly attractive as a high-performing nonlinear optical material.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Waste plastic- and coke-derived flash graphene as lubricant additives

Lubricants play an essential role in reducing wear in mechanical systems. Carbon nanomaterial additives, such as graphene, have been found to significantly improve tribological performance when used as lubricant additives. Here, in this study, post-consumer plastic and metallurgical coke are converted into turbostratic flash graphene (FG) through flash Joule heating (FJH). The FG is then added to either poly(alpha olefin) 6 or 9 (PAO 6 or PAO 9). Adding waste plastic-derived FG (WPFG) and metallurgical coke-derived FG (MCFG) to lubricants resulted in a significant decrease in the coefficient of friction (CoF), wear scar diameter (WSD), and roughness during four-ball testing. WPFG and MCFG decrease the CoF in PAO 9 by 6% and 9% at 0.1 mg mL -1 , respectively, and in PAO 6 by 23% and 6% at 0.5 mg mL -1 , respectively. WPFG and MCFG decrease the WSD of steel balls in PAO 9 by 14% and 8% at 0.5 mg mL -1 , respectively, and in PAO 6 by 12% and 14% at 0.5 mg mL -1 , respectively, by forming a coating-like layer between the metal surfaces. Roughness decreased by 38% and 32% for WPFG and MCFG in PAO 6, respectively, and by 35% and 29% for WPFG and MCFG in PAO 9, respectively. Finally, preliminary life cycle analyses demonstrate that production of FG produces up to 99% less greenhouse gas emissions, requires 98% less energy, and consumes 99.9% less water when compared to conventional production techniques of graphene. Hence, metallurgical coke and waste plastic are shown to be ready feedstocks for high-quality FG lubricant additives.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Ring Opening in Cycloheptane and Dissociation of 1-Heptene at High Temperatures

Cycloalkanes and alkenes are important components of real fuels but there is little kinetic and mechanistic data on the dissociation of most large cyclic and olefinic molecules at elevated temperatures. We present here the first experimental and theoretical investigation of dissociation of cycloheptane and the initial product from ring opening, 1-heptene. Experiments were performed in a diaphragmless shock tube using laser schlieren densitometry. Pyrolysis of cycloheptane (0.5-4% in Kr) was studied over 1450-2000 K and 30-120 Torr. Experiments with 1-heptene (1-4% in Kr) covered 1200-1650 K and 30-120 Torr. A newly developed chemical kinetic mechanism for pyrolysis of cycloheptane and 1-heptene is presented herein. Simulations are in very good agreement with the experimental measurements. Rate coefficients for the initial ring-opening process in cycloheptane, k 1 , and dissociation of 1-heptene, k 2 , were determined from the experiments. Both k 1 and k 2 are in falloff, and the pressure and temperature dependencies were well reproduced by theoretical calculations allowing extrapolation to conditions beyond the scope of this work. These calculations yielded the following expressions for k 1 and k 2 with the uncertainties estimated as +/- 40% and +/- 50% respectively: k 1 , infinity = 5 . 94 & times; 10 17 exp ( & minus;44 T, 521 ) s & minus;1 and k 2 , infinity = 8 . 86 & times; 10 16 exp ( & minus;35 , 887 T ) s & minus;1 . The results of this study indicate that cycloheptane dissociates similarly to cyclopentane and cyclohexane, i.e. ring-opening via C -C scission to a diradical that rapidly isomerizes to a conjugate 1-alkene. The secondary chemistry is dominated by the dissociation products of the 1-alkenes i.e. allyl and n-alkyl radicals. Furthermore, rates of dissociation of the cycloalkanes are size dependent and k cyclopentane << k cyclohexane < k cycloheptane . (c) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Chemical kinetics↗

DOE OSTI2020

Designing clay-polymer nanocomposite sorbents for water treatment: A review and meta-analysis of the past decade

Clay-polymer nanocomposites (CPNs) have been studied for two decades as sorbents for water pollutants, but their applicability remains limited. Our aim in this review is to present the latest progress in CPN research using a meta-analysis approach and identify key steps necessary to bridge the gap between basic research and CPN application. Based on results extracted from 99 research articles on CPNs and 8 review articles on other widely studies sorbents, CPNs had higher adsorption capacities for several inorganic and organic pollutant classes (including heavy metals, oxyanions, and dyes, n = 308 observations). We applied principal component analysis, analysis of variance, and multiple linear regressions to test how CPN and pollutant properties correlated with Langmuir adsorption model coefficients. While adsorption was, surprisingly, not influenced by mineral properties, it was influenced by CPN fabrication method, polymer functional groups, and pollutant properties. For example, among the pollutant classes, heavy metals had the highest adsorption capacity but the lowest adsorption affinity. Conversely, dyes had high adsorption affinities, as reflected by the linear correlation between adsorption affinity and pollutant molecular weight. Scaling from ‘basic research’ to ‘technological application’ requires testing CPN performance in real water, application in columns, comparison to commercial sorbents, regeneration, and cost evaluation. However, our survey indicates that of the 158 observations, only 20 compared the CPN's performance to that of a commercial sorbent. We anticipate that this review will promote the design of smart and functional CPNs, which can then evolve into an effective water treatment technology.

42 ENGINEERING↗

DOE OSTI2023

Application of the van der Pauw method for electrical conductivity measurements at high temperatures using an insulating compressing ring

High quality data on the high temperature electrical properties of ceramics, particularly oxides, is of great value for material selection, design, and modeling for a broad range of emerging applications. Utilizing the mismatch in the coefficient of thermal expansion between two materials, a purely mechanical method for establishing electrical contact in the van der Pauw geometry to measure the bulk resistivity of ceramic disks at high temperatures is presented. Measurements of a reference material, 20 mol. % Gd-doped cerium oxide, are presented up to 1000 °C. The viability of electrical measurements up to a maximum temperature of 1600 °C is also considered. Measurements are performed using multiple techniques and compared to literature values finding excellent agreement. Finally, the approach described in this work enables the van der Pauw method to be applied to many ceramic materials over a wide range of temperatures and environments.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Benchmark Calculation for Turkey Point Unit 3 Cycles 1-3 Using the SCALE 6.3/Polaris–PARCS v3.4.2 Code Package

Benchmark calculations were performed for Turkey Point Unit 3 cycles 1–3 to validate the SCALE 6.3/Polaris–PARCS v3.4.2 code with the ENDF/B–VII.1 56–group library by comparing the simulated results with the measured data. The benchmark results will be used in evaluating the SCALE/Polaris–PARCS code package’s uncertainties for pressurized water reactor physics analysis. That future analysis will include key nuclear parameters such as reactivity, control bank worth, temperature coefficients, and pin and assembly power peaking factors. The present document details plant and fuel design specifications and input data for SCALE/Polaris, GenPMAXS, and PARCS. Additional details are provided with respect to the input and output files produced for the benchmark calculations. The benchmark results are summarized such that they can be used in evaluating uncertainties with other benchmark results for key nuclear parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Transport of Highly Volatile Gases Related to Noble Gases and Tritium in the MSRE

This study aims to comprehend mass transfer in the closed-loop circulation of highly volatile gases, including noble gases and tritium. We explore the impact of steady-state xenon-135 and tritium on the MSRE and reveal their isotopic distributions using online noble gas stripping of fuel salts. The MSRE was engineered to extract fission product gases from fuel salts and efficiently eliminate inert gases with the help of helium bubbles within a circulating fuel pump. These reactors introduce significant theoretical challenges in estimating interfacial area and mass transfer coefficients, crucial for modeling mass transfer processes. An essential component of our analysis is the mass transfer coefficient. These coefficients are important for understanding how radionuclides move during various phase transitions within a nuclear reactor. Xenon-135 and tritium are found in both liquid and gas phases within the reactor system. In the liquid phase, they dissolve in molten salts, while in the gas phase, they manifest as bubbles. These elements have significant adverse effects on reactor operation due to their strong neutron absorption properties, influencing both safety and performance. The Mole code, which predicts the behavior of chemical species under steady-state conditions, facilitates multiphysics coupling with Griffin to update species distributions and address inherent MSR safety.

Lee, Kyoung↗

DOE OSTI2023

Precision test of gauge/gravity duality in D0-brane matrix model at low temperature

We test the gauge/gravity duality between the matrix model and type IIA string theory at low temperatures with unprecedented accuracy. To this end, we perform lattice Monte Carlo simulations of the Berenstein-Maldacena-Nastase (BMN) matrix model, which is the one-parameter deformation of the Banks-Fischler-Shenker-Susskind (BFSS) matrix model, taking both the large N and continuum limits. We leverage the fact that sufficiently small flux parameters in the BMN matrix model have a negligible impact on the energy of the system while stabilizing the flat directions so that simulations at smaller N than in the BFSS matrix model are possible. Hence, we can perform a precision measurement of the large N continuum energy at the lowest temperatures to date. The energy is in perfect agreement with supergravity predictions including estimations of α'-corrections from previous simulations. At the lowest temperature where we can simulate efficiently (T = 0.25λ 1/3 , where λ is the ’t Hooft coupling), the difference in energy to the pure supergravity prediction is less than 10%. Furthermore, we can extract the coefficient of the 1/N 4 corrections at a fixed temperature with good accuracy, which was previously unknown.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

On the implications of positive W mass shift

We investigate the phenomenological implications of the recent W mass measurement by the CDF collaboration, which exhibits tension with the standard model (SM) electroweak fit. Performing the fit to the electroweak observables within the SM effective field theory, we find that the new physics that contributes either to the determination of the electroweak vacuum expectation value, or to the oblique parameters, can improve the agreement with data. The best description is obtained from a fit where flavor universality is not required in the new physics operators, with 2 to 3 σ indications for several nonzero Wilson coefficients. We point out that top partners with order TeV masses could lead to the observed shift in the W mass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Ultrahigh-power-density flexible piezoelectric energy harvester based on freestanding ferroelectric oxide thin films

Flexible piezoelectric nanogenerators are emerging as a promising solution for powering next-generation flexible electronics by converting mechanical energy into electrical energy. However, traditional ferroelectric ceramics, despite their excellent piezoelectric properties, lack flexibility; while piezoelectric polymers, although highly flexible, have low piezoelectricity. The quest to develop materials that combine high piezoelectricity with exceptional flexibility has thus become a research focus. Herein, we present a breakthrough in this field with the fabrication of freestanding (111)-oriented PbZr 0.52 Ti 0.48 O 3 single crystalline thin films, which exhibit remarkable flexibility and a high converse piezoelectric coefficient (~585 pm/V). This is achieved through water-soluble sacrificial layer to relieve substrate clamping and controlling the crystal orientation to further enhance the piezoelectric response. Our nanogenerators, constructed using these freestanding nanoscale membranes, demonstrate a record-high output power density (~63.5 mW/cm 3 ), excellent flexibility (with a strain tolerance >3.4%), and superior mechanical stability in cycling tests (>60,000 cycles). These advancements pave the way for high-performance, flexible electronic devices utilizing ferroelectric oxide thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Transfer functions for Q A /Q B international regulatory limits for the safe transport of radioactive materials

This paper presents a proposed revision of the International Atomic Energy Agency transport regulations, related to the A 1 and A 2 limit values used to determine the radioactive transport classification. Based on the 'Q system', a novel methodology was introduced to derive Q A and Q B values related to scenarios involving external exposure from a distant source. These values are key parameters that respectively represent the total effective dose and total equivalent dose to the skin, from all primary and secondary particles contributing to radiation exposure. The International Working Group (WG A 1 /A 2 ) is established and associated with the TRANSSC Technical Expert Group on Radiation Protection. A review of the A 1 and A 2 values is performed in response to identified limitations within the existing Q system. The followed approach is based on Monte Carlo simulations that enabled the development of transfer functions aimed at reducing computational time and increasing the flexibility of dose evaluations for any radionuclide with known particle emission spectra. This method allows updating the Q A and Q B values to account for future data evolutions (decay data, fluence-to-dose conversion coefficients) and standardizing the calculation of regulation limits across all referenced radionuclides and scenarios related to external exposure. The transfer functions are established using three Monte Carlo simulation codes—FLUKA, Geant4, and MCNP—and address the previous limitations of the 'Q system', reflecting the latest International Commission for Radiation Protection recommendations and improvements in calculation techniques. The results of the WG show consistent agreement across the codes, with minor discrepancies observed at low primary energies due to statistical uncertainties and different handling of stopping power for electrons/positrons in the codes. This revised approach aligns with current standards and recommendations, ensuring that the radiological consequences of transport accidents are acceptable for the new A 1 and A 2 limits from a radiological protection perspective.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2020

Giant piezoelectricity in oxide thin films with nanopillar structure

High-performance piezoelectric materials are critical components for electromechanical sensors and actuators. For more than 60 years, the main strategy for obtaining large piezoelectric response has been to construct multiphase boundaries, where nanoscale domains with local structural and polar heterogeneity are formed, by tuning complex chemical compositions. We used a different strategy to emulate such local heterogeneity by forming nanopillar regions in perovskite oxide thin films. We obtained a giant effective piezoelectric coefficient d 33 , f * of ~1098 picometers per volt with a high Curie temperature of ~450°C. Our lead-free composition of sodium-deficient sodium niobate contains only three elements (Na, Nb, and O). The formation of local heterogeneity with nanopillars in the perovskite structure could be the basis for a general approach to designing and optimizing various functional materials.

Science & Technology - Other Topics↗

DOE OSTI2024

Affinity of LDR Organics to Cementitious Materials: Sorption and Leaching Tests

SRNL is working to identify and test the physiochemical interactions of organic contaminants of potential concern with minerals in grout/cementitious materials. Organic species may interact with cementitious minerals including slag, fly ash, cement, and other components/dopants like carbon in fly ash. The identification of such interactions will support the solidification process design, performance assessments for the chemicals of concern, and a proposed Resource Conservation and Recovery Act (RCRA) treatment variance the technology-based treatment standard specified for the Land Disposal Restriction (LDR) organics associated with Hanford tank waste. In FY24, a list of the 132 reasonably expected to be present LDR organics associated with Hanford tank waste (RPP-RPT-63493, Rev 1a) was screened by functional groups, octanol-water partitioning coefficients, and detection frequency in Hanford tank waste samples. A subset of 10 compounds spanning the identified properties were tested using sorption and leachate tests. These compounds were subject to traditional batch sorption tests and leaching tests on/from Cast Stone cementitious material with and without activated carbon (a potential organic adsorption additive). The tests have been completed and analysis is underway but as yet currently unavailable. The analytical results (and conclusions) will be included in a forthcoming revision to this report as soon as they are available

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

SCALE 6.3 Validation: Reactor Physics

This study was performed to validate the SCALE/Polaris v6.3.0–PARCS v3.4.2 code procedure with the ENDF/B-VII.1 AMPX 56-group library for light-water reactor analysis by comparing the simulated results with the measured data for critical experiments and operating light-water reactors. Uncertainties of the SCALE/Polaris–PARCS code procedure for light-water reactor physics analysis were evaluated in the validation for key nuclear parameters such as reactivity, control bank work, temperature coefficients, and pin and assembly power peaking factors. In addition, the SCALE/TRITON v6.3.1 procedure with the ENDF/B-VII.1 and VIII.0 252-group and continuous-energy cross sections was validated for non-lightwater reactors including the HTR-10 reactor, the High-Temperature Test Reactor, the Molten Salt Reactor Experiment, and the Experimental Breeder Reactor II.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Chelation ion chromatography as an automated, and cost-effective analytical technique for REE determination: method development and applications

Rare earth elements (REEs), as critical minerals, have important uses in modern energy and technologies, yet are vulnerable to potential supply chain disruptions. To establish domestic REE supply chain, efficient REE detection methods for resource characterization and mineral processing will be needed to accelerate innovations for domestic REE recovery. This study developed a rapid, novel, and cost-effective for REE detection method using ion chromatography (IC) for aqueous samples. Various REE-targeted eluent gradients and post-column agent compositions were tested on the chelation ion chromatography (CIC) with UV-vis detector for optimal separation and quantification of REEs within approximately 20 min. The single-channel pump to deliver the post-column solution to UV-vis detector was replaced with a 4-channel gradient pump, to increase operation and maintenance efficiencies. After method optimization, resulting calibration curves for more than ten REEs achieved high coefficients of determination (R2>0.999) and low relatively standard deviations (below 3.24%), demonstrating sub-ppm level detection limits (0.0897 to 0.1149 mg/L). The reliability of the CIC method was validated through comparison with inductively coupled plasma mass spectrometry (ICP-MS), showing strong agreement in REE recovery from certified standards. The impact of metal ions and salts on REE recovery using CIC was also systematically investigated. CIC consistently exhibited reliable performance in the presence of salt solutions such as NaCl and Na₂SO₄ (up to 10,000 mg/L). Our study also found the presence of high concentrations of Al ions (at 10,000 mg/L) significantly influenced REE determination, and elevated concentrations of Ca ions affected the recovery of specific REEs, including La, Ce, and Pr. The CIC method was further tested on REE-containing eluents from solvent extraction tests out of fly ash leachates. REE detection from these real processing fluids were reported to achieve 90% to 100% recovery rate from our IC method, compared to ICP-MS results. This study underscores the potential of CIC as a reliable and efficient alternative for REE determination in complex matrices. It also highlights the importance of minimizing select interfering metal ions in solutions to ensure accurate results. The REE CIC method presents a promising, low-maintenance, salt-tolerant, and cost-effective alternative to traditional analytical methods for REE analysis.

detection of rare earth elements (REE)↗

DOE OSTI2024

Relating flow resistance to equivalent roughness

Describing flow resistance using the physical properties of an underlying surface is a recalcitrant problem in overland flow models. If discharge measurements are available, an equivalent roughness (e.g., Manning’s n) can be calibrated to represent the effects of surface properties within the domain with a single numerical value. Alternatively, the flow resistance can be estimated from discharge and velocity measured at a point, typically a runoff plot outlet. However, such experimental estimates are often inconsistent with the equivalent roughness determined from calibration to discharge, even if both derive from the same dataset. For example, if Manning’s equation is used to parameterize flow resistance, the Manning’s n obtained by calibrating a model to discharge differs from the value of n calculated from measured flow and velocity at the hillslope outlet. Here, this discrepancy is resolved by deriving a correction factor relating experimentally-determined flow resistance to the equivalent roughness. The derived correction factor is tested for four commonly-used resistance formulations using 129 rainfall simulator experiments. The correction factor is necessary to reproduce measured velocities, and yields minor improvements in discharge prediction. Plain Language Summary: Accurate runoff prediction is needed for land and water management in dryland regions, where sporadic and limited rainfall necessitate efficient water use and drought mitigation strategies. The skill of runoff models is known to be hindered by out ability to estimate flow resistance, which is the quantity that describes how energy is lost from flowing water to the underlying surface. Typically, models represent flow resistance with an equivalent roughness, e.g., Manning’s n, that is adjusted until the model can reproduce available discharge observations at watershed scale. However, the flow resistance measured in plot-scale experiments (1–10 m) often exceeds equivalent roughness coefficients by a factor of 10. This means that the direct use of plot-scale experimental data to parameterize runoff models could cause errors in discharge and runoff velocity predictions. Here, we resolve these differences by deriving an analytic correction factor that relates flow resistance to the equivalent roughness required for models to reproduce experimental velocity and discharge data. This correction factor is tested using rainfall simulator data from 129 experiments performed in the US Southwest covering a wide range of precipitation intensities, soil textures and vegetation types. Use of the correction factor substantially improves model prediction of flow velocity, which is needed for reproducing the timing of flood events and the estimation of erosion.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

A comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene

In this work, a comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene has been performed using ignition delay time (IDT) measurements from both a high-pressure shock tube and a rapid compression machine, at an equivalence ratio of 1.0 in ‘air’, at a pressure of 30 atm in the temperature range of 600–1300 K. At low temperatures (< 950 K), the results show that 1-alkenes with longer carbon chains show higher fuel reactivity, with 1-pentene being the first fuel to show negative temperature coefficient (NTC) behavior followed by 1-hexene and 1-heptene. At high temperatures (> 950 K), the experimental results show that all of the fuels except propene show very similar fuel reactivity, with the IDTs of propene being approximately four times longer than for all of the other 1-alkenes. To analyze the experimental results, a chemistry mechanism has been developed using consistent rate constants for these alkenes. At 650 K, flux analyses show that hydroxyl radicals add to the double bond, followed by addition to molecular oxygen producing hydroxy-alkylperoxy radicals, which can proceed via the Waddington mechanism or alternate internal H-atom isomerizations in chain branching similar to those for alkanes. We have found that the major chain propagation reaction pathways that compete with chain branching pathyways mainly produce hydroxyl rather than hydroperoxyl radicals, which explains the less pronounced NTC behavior for larger 1-alkenes compared to their corresponding alkanes. At 1200 K, flux analyses show that the accumulation of hydroperoxyl radicals is important for the auto-ignition of 1-alkenes from propene to 1-heptene. The rate of production of hydroperoxyl radicals for 1-alkenes from 1-butene to 1-heptene is higher than that for propene, which is due to the longer carbon chain facilitating hydroperoxyl radical formation via more efficient reaction pathways. This is the major reason that propene presents lower fuel reactivity than the other 1-alkenes at high temperatures.

1-Alkene↗