Minimal Proton Channel Enables H2 Oxidation and Production with a Water-Soluble Nickel-Based Catalyst
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bio-inspired↗
SEARCH · Engineering Papers
Results for “PROTON”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Long-range azimuthal correlations in proton–proton and proton–nucleus collisions from the incoherent scattering of partons
In this study, we show that the incoherent elastic scattering of partons, as present in a multi-phase transport model (AMPT), with a modest parton–parton cross-section of σ = 1.5 – 3 mb, naturally explains the long-range two-particle azimuthal correlation as observed in proton–proton and proton–nucleus collisions at the Large Hadron Collider.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Femtoscopic study of the proton-proton and proton-deuteron systems in heavy-ion collisions at the LHC
This work reports femtoscopic correlations of p – – p ($\overline{p}$ – – $\overline{p}$) and p – – d ($\overline{p}$ – – $\overline{d}$) pairs measured in Pb–Pb collisions at center-of-mass energy per nucleon $\sqrt{s_{NN}}$ = 5.02 TeV in the ALICE Collaboration. A fit to the measured proton-proton correlation functions allows one to extract the dependence of the nucleon femtoscopic radius of the particle-emitting source on the pair transverse mass (m T ) and on the average charge particle multiplicity $\langle$dN ch /dη$\rangle$ 1/3 for three centrality intervals (0–10%, 10 – – 30 %, 30 – – 50 %). In both cases, the expected power-law and linear scalings are observed, respectively. The measured p–d correlations can be described by both two- and three-body calculations, indicating that the femtoscopy observable is not sensitive to the short-distance features of the dynamics of the p-(p-n) system, due to the large inter-particle distances in Pb–Pb collisions at the LHC. Indeed, in this study, the minimum measured femtoscopic source sizes for protons and deuterons have a minimum value at 2.73$^{+0.05}_{–0.05}$ and 3.10$^{+1.04}_{–0.86}$ fm, respectively, for the 30–50% centrality collisions. Moreover, the m T -scaling obtained for the p–p and p–d systems is compatible within 1σ of the uncertainties. These findings provide new input for fundamental studies on the production of light (anti)nuclei under extreme conditions.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine
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bio-inspired↗
Addendum: Dielectron production in proton-proton and proton-lead collisions at $\sqrt{s_{NN}}$ = 5.02 TeV
This is an addendum to the article “Dielectron production in proton-proton and proton-lead collisions at $\sqrt{s_{NN}}$ = 5.02 TeV” published in [Phys. Rev. C 102, 055204 (2020)]. We update the extracted charm cross section at midrapidity given in Table III and Fig. 4 (left) of the original publication with the fragmentation fractions of charm quarks in 𝑝𝑝 collisions published in [Phys. Rev. D 105, L011103 (2022)].
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Measurement of charged pion, kaon, and proton production in proton-proton collisions at $\sqrt{s}=13$ TeV
Transverse momentum spectra of charged pions, kaons, and protons are measured in proton-proton collisions at s=13 TeV with the CMS detector at the LHC. The particles, identified via their energy loss in the silicon tracker, are measured in the transverse momentum range of pT≈0.1–1.7 GeV/c and rapidities |y|<1. The pT spectra and integrated yields are compared to previous results at smaller s and to predictions of Monte Carlo event generators. The average pT increases with particle mass and charged particle multiplicity of the event. Comparisons with previous CMS results at s=0.9, 2.76, and 7 TeV show that the average pT and the ratios of hadron yields feature very similar dependences on the particle multiplicity in the event, independently of the center-of-mass energy of the pp collision.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Constraining Gluon Distributions in Nuclei Using Dijets in Proton-Proton and Proton-Lead Collisions at s NN = 5.02 TeV
The pseudorapidity distributions of dijets as a function of their average transverse momentum ($p_\mathrm{T}^\text{ave}$) are measured in proton-lead (pPb) and proton-proton (pp) collisions. The data samples were collected by the CMS experiment at the CERN LHC, at a nucleon-nucleon center-of-mass energy of 5.02 TeV. A significant modification of the pPb spectra with respect to the pp spectra is observed in all $p_\mathrm{T}^\text{ave}$ intervals investigated. The ratios of the pPb and pp distributions are compared to next-to-leading order perturbative quantum chromodynamics calculations with unbound nucleon and nuclear parton distribution functions (PDFs). Furthermore, these results give the first evidence that the gluon PDF at large Bjorken $x$ in lead ions is strongly suppressed with respect to the PDF in unbound nucleons.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Measurement of pion, kaon and proton production in proton–proton collisions at $\sqrt{s} = 7 TeV$
The measurement of primary π ± , K ± , p and $\bar{p}$ production at mid-rapidity (|y|< 0.5) in proton–proton collisions at $\sqrt{s}$ = 7 TeV performed with a large ion collider experiment at the large hadron collider (LHC) is reported. Particle identification is performed using the specific ionisation energy-loss and time-of-flight information, the ring-imaging Cherenkov technique and the kink-topology identification of weak decays of charged kaons. Transverse momentum spectra are measured from 0.1 up to 3 GeV/c for pions, from 0.2 up to 6 GeV/c for kaons and from 0.3 up to 6 GeV/c for protons. The measured spectra and particle ratios are compared with quantum chromodynamics-inspired models, tuned to reproduce also the earlier measurements performed at the LHC. Lastly, the integrated particle yields and ratios as well as the average transverse momenta are compared with results at lower collision energies.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Exploring novel QCD matter in proton-proton and proton-nucleus collisions at the LHC
This project focuses on studying a novel hot quark-gluon plasma (QGP) matter possibly created in high-multiplicity proton-proton (pp) and proton-lead (pPb) collisions at the LHC using the CMS detector. Over the past year, the PI has been leading the Rice heavy-ion group to focus on the analysis of new high-luminosity pp and pPb data at the LHC run 2 at highest energy ever achieved. The Rice group continues strengthening our leadership in the study of collective phenomena in small colliding systems, with a focus on heavy flavor production and dynamics.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells
Due to the Fenton reaction, the presence of Fe and peroxide in electrodes generates free radicals causing serious degradation of the organic ionomer and the membrane. Pt-free and Fe-free cathode catalysts therefore are urgently needed for durable and inexpensive proton exchange membrane fuel cells (PEMFCs). Herein, a high-performance nitrogen-coordinated single Co atom catalyst is derived from Co-doped metal-organic frameworks (MOFs) through a one-step thermal activation. Aberration-corrected electron micros-copy combined with X-ray absorption spectroscopy virtually verifies the CoN4 coordination at an atomic level in the catalysts. Through investigating effects of Co doping contents and thermal activation temperature, an atomically Co site dispersed catalyst with optimal chemical and structural properties has achieved respectable activity and stability for the oxygen reduction reaction (ORR) in challenging acidic media (e.g., half-wave potential of 0.80 V vs reversible hydrogen electrode (RHE). The performance is comparable to Fe-based catalysts and 60 mV lower than Pt/C -60 µg Pt cm-2). Fuel cell tests confirm that catalyst activity and stability can translate to high-performance cathodes in PEMFCs. The remarkably enhanced ORR performance is attrib-uted to the presence of well-dispersed CoN4 active sites embedded in 3D porous MOF-derived carbon particles, omitting any inactive Co aggregates.
Wang, Xiao X.↗
Intramolecular Proton Transfer Boosts Water Oxidation Catalyzed by a Ru Complex
We introduce a new family of complexes with the general formula [Run(tda)(py)2]m+ (n = 2, m = 0, 1; n = 3, m = 1, 2+; n = 4, m = 2, 32+), with tda2– being [2,2':6',2''-terpyridine]-6,6''-dicarboxylate, including complex [RuIV(OH)(tda-κ-N3O)(py)2]+, 4H+, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 32+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), including solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Ru center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H+ can be generated potentiometrically, or voltammetrically, from 32+, and both coexist in solution. While complex 32+ is not catalytically active, the catalytic performance of complex 4H+ is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s–1 at pH 7.0 and 50 000 s–1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H+, manifesting the key functional role of the dangling carboxylate in lowering the activation free energies that lead to O–O bond formation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Solvent-dependent transition from concerted electron–proton to proton transfer in photoinduced reactions between phenols and polypyridine Ru complexes with proton-accepting sites
The bimolecular rate coefficients ($k_q^{obs}$) for quenching the metal-to-ligand charge transfer excited states of two Ru polypyridine complexes containing H-bond accepting sites by six p-substituted phenols exhibit abrupt deviations from the expected linear correlations of log$k_q^{obs}$ with phenol’s Hammett σ p constant. This pattern is attributed to a transition of the quenching mechanism from a concerted electron-proton transfer (EPT) to a proton transfer (PT); the latter becomes predominant for the most acidic phenols in MeCN, but not in CH 2 Cl 2 . This assertion is supported by a detailed thermochemical analysis, which also excludes the quenching pathways involving electron transfer from phenols with or without deprotonation of phenols to the solvent, either concerted or sequential. The transition from EPT to PT upon the σ p increase is consistent/supported by the magnitudes of the measured and computed PhOH/OD kinetic isotope effects and by the observed reduction of the EPT product yields upon replacing the low σ p methoxyphenol by the high σ p nitrophenol. In addition to modulating the relative contribution of the EPT and PT quenching pathways, the solvent strongly affects the bimolecular rate coefficients for the EPT quenching proper. Unlike with H-atom transfer reactions, this kinetic solvent effect could not be quantitatively accounted for by the phenol-solvent H-bonding alone, which suggests a solvent effect on the H-bonding constants in the phenol-Ru complex precursor exciplexes and/or on the unimolecular EPT rate coefficients within these exciplexes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Precision Small Scattering Angle Measurements of Proton–Proton and Proton–Nucleus Analyzing Powers at the RHIC Hydrogen Jet Polarimeter
At RHIC, the hydrogen jet target polarimeter (HJET) is used to measure proton beam polarization with accuracy $σ^{syst}_{P}$ / $P$ ≲ 0.5% by counting low energy (1–10 MeV) recoil protons in left-right symmetric detectors. The HJET performance also allowed us to precisely measure $pp$ and $pA$ (where $A$ is any ion stored at RHIC) analyzing powers in the CNI region. The results of the measurements are discussed.
43 PARTICLE ACCELERATORS↗
Doubling the critical current density of high temperature superconducting coated conductors through proton irradiation
The in-field critical current of commercial YBa{sub 2}Cu{sub 3}O{sub 7} coated conductors can be substantially enhanced by post-fabrication irradiation with 4 MeV protons. Irradiation to a fluence of 8 × 10{sup 16} p/cm{sup 2} induces a near doubling of the critical current in fields of 6 T || c at a temperature of 27 K, a field and temperature range of interest for applications, such as rotating machinery. A mixed pinning landscape of preexisting precipitates and twin boundaries and small, finely dispersed irradiation induced defects may account for the improved vortex pinning in high magnetic fields. Our data indicate that there is significant head-room for further enhancements.
36 MATERIALS SCIENCE↗
On proton CT reconstruction using MVCT-converted virtual proton projections
Purpose: To describe a novel methodology of converting megavoltage x-ray projections into virtual proton projections that are otherwise missing due to the proton range limit. These converted virtual proton projections can be used in the reconstruction of proton computed tomography (pCT). Methods: Relations exist between proton projections and multispectral megavoltage x-ray projections for human tissue. Based on these relations, these tissues can be categorized into: (a) adipose tissue; (b) nonadipose soft tissues; and (c) bone. These three tissue categories can be visibly identified on a regular megavoltage x-ray computed tomography (MVCT) image. With an MVCT image and its projection data available, the x-ray projections through heterogeneous anatomy can be converted to the corresponding proton projections using predetermined calibration curves for individual materials, aided by a coarse segmentation on the x-ray CT image. To show the feasibility of this approach, mathematical simulations were carried out. The converted proton projections, plotted on a proton sinogram, were compared to the simulated ground truth. Proton stopping power images were reconstructed using either the virtual proton projections only or a blend of physically available proton projections and virtual proton projections that make up for those missing due to the range limit. These images were compared to a reference image reconstructed from theoretically calculated proton projections. Results: The converted virtual projections had an uncertainty of {+-}0.8% compared to the calculated ground truth. Proton stopping power images reconstructed using a blend of converted virtual projections (48%) and physically available projections (52%) had an uncertainty of {+-}0.86% compared with that reconstructed from theoretically calculated projections. Reconstruction solely from converted virtual proton projections had an uncertainty of {+-}1.1% compared with that reconstructed from theoretical projections. If these images are used for treatment planning, the average proton range uncertainty is estimated to be less than 1.5% for an imaging dose in the milligray range. Conclusions: The proposed method can be used to convert x-ray projections into virtual proton projections. The converted proton projections can be blended with existing proton projections or can be used solely for pCT reconstruction, addressing the range limit problem of pCT using current therapeutic proton machines.
60 APPLIED LIFE SCIENCES↗
A Fano cavity test for Monte Carlo proton transport algorithms
Purpose: In the scope of reference dosimetry of radiotherapy beams, Monte Carlo (MC) simulations are widely used to compute ionization chamber dose response accurately. Uncertainties related to the transport algorithm can be verified performing self-consistency tests, i.e., the so-called “Fano cavity test.” The Fano cavity test is based on the Fano theorem, which states that under charged particle equilibrium conditions, the charged particle fluence is independent of the mass density of the media as long as the cross-sections are uniform. Such tests have not been performed yet for MC codes simulating proton transport. The objectives of this study are to design a new Fano cavity test for proton MC and to implement the methodology in two MC codes: Geant4 and PENELOPE extended to protons (PENH). Methods: The new Fano test is designed to evaluate the accuracy of proton transport. Virtual particles with an energy ofE{sub 0} and a mass macroscopic cross section of (Σ)/(ρ) are transported, having the ability to generate protons with kinetic energy E{sub 0} and to be restored after each interaction, thus providing proton equilibrium. To perform the test, the authors use a simplified simulation model and rigorously demonstrate that the computed cavity dose per incident fluence must equal (ΣE{sub 0})/(ρ) , as expected in classic Fano tests. The implementation of the test is performed in Geant4 and PENH. The geometry used for testing is a 10 × 10 cm{sup 2} parallel virtual field and a cavity (2 × 2 × 0.2 cm{sup 3} size) in a water phantom with dimensions large enough to ensure proton equilibrium. Results: For conservative user-defined simulation parameters (leading to small step sizes), both Geant4 and PENH pass the Fano cavity test within 0.1%. However, differences of 0.6% and 0.7% were observed for PENH and Geant4, respectively, using larger step sizes. For PENH, the difference is attributed to the random-hinge method that introduces an artificial energy straggling if step size is not small enough. Conclusions: Using conservative user-defined simulation parameters, both PENH and Geant4 pass the Fano cavity test for proton transport. Our methodology is applicable to any kind of charged particle, provided that the considered MC code is able to track the charged particle considered.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Proton Transport Mechanism of Perfluorosulfonic Acid Membranes
An understanding of proton transport within perfluorosulfonic acid (PFSA) membranes is crucial to improve the efficiency of proton exchange membrane fuel cells. Using reactive molecular dynamics simulations, we have examined proton transport in two PFSA materials, Hyflon and the 3M membrane, at three different hydration levels. The interaction between the sulfonate group of the polymer side chains and the hydrated protons was found to have only a small influence on the proton transport dynamics. Instead, proton swapping between sulfonate groups is the primary transport mechanism for the proton transport within the pore. The larger water clusters and more flexible side chain of the 3M membrane allows for an enhancement of this swapping mechanism compared to Hyflon. Membranes that can enhance this mechanism may result in greater proton conductivity.
Savage, John↗
Proton or Metal? The H/D Exchange of Arenes in Acidic Solvents
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catalysis (homogeneous), catalysis (heterogeneous)↗