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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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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Probing surface-adsorbate interactions through active particle dynamics

Adsorbate molecules present in a reaction mixture may bind to and block catalytic sites. Measurement of the surface coverage of these molecules via adsorption isotherms is critical for modeling and design of catalytic reactions on surfaces. However, it is challenging to measure isotherms in solution in a way that is directly relevant to catalytic activity under reaction conditions, particularly since adsorbates may bind with an enormous range of surface affinity parameters. Here we used the motion of self-propelled catalytic Janus particles, which employ the decomposition of hydrogen peroxide fuel as a propulsion mechanism, to determine the effective surface coverage of thioglycerol, furfural, and ethanol on a platinum surface as a function of concentration in aqueous solution by measuring the decrease in active motion due to the blocking of active sites. For strongly adsorbing thioglycerol, this effective coverage was compared and contrasted to the total adsorbed amount measured using inductively-coupled plasma analysis. Demonstrating the broad applicability of this approach, the surface affinity of the three adsorbates spanned more than four orders of magnitude. For each species, the adsorbate-mediated attenuation of active motion occurred over a wide concentration range and was well-described by a Langmuir isotherm. The strongly interacting thioglycerol had the highest affinity towards the surface (K a = 15.5 ± 4.3 mM –1 ) and fully deactivated the active particle motion at surface saturation. Furfural had an intermediate affinity (K a = 0.42 ± 0.07 mM –1 ) but did not fully block H 2 O 2 access to the surface at apparent saturation, consistent with a maximum fractional surface coverage of θ max = 0.67. Ethanol exhibited even lower affinity (K a = 0.0025 ± 2x10 -4 mM –1 ) and its coverage saturated at only θ max = 0.38. Analysis of isotherms at elevated temperatures enabled direct extraction of the enthalpies of adsorption. The degree of surface coverage at adsorbate saturation appeared to correlate with the relative energies of adsorption for the different adsorbate species and was consistent with adsorbate saturation of one of multiple active site populations towards H 2 O 2 decomposition. Furthermore, computational investigations into solvent effects on furfural adsorption showed good quantitative agreement with the experimental results. This work leverages unique properties of active particles to explore fundamental catalysis questions and demonstrates a novel paradigm for significant and experimentally accessible multidisciplinary research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Microgravity Particle Dynamics

This research seeks to identify the experiment design parameters for future flight experiments to better resolve the effects of thermal and velocity gradients on gas-solid flows. By exploiting the reduced body forces and minimized thermal convection current of reduced gravity experiments, features of gas-solid flow normally masked by gravitationally induced effects can be studied using flow regimes unattainable under unigravity. This paper assesses the physical scales of velocity, length, time, thermal gradient magnitude, and velocity gradient magnitude likely to be involved in laminar gas-solid multiphase flight experiments for 1-100 micro-m particles.

Clark, Ivan O.↗
DOE OSTI2023

Elucidating the Influence of Metal Surface Composition on Organic Adsorbate Binding Using Active Particle Dynamics

The adsorption strengths of organic compounds on metal surfaces are sensitive to the metal composition, and they play a central role in many catalytic reactions, helping to control the coverage of the reactant and altering the overall reaction rate. While adsorption energies are straightforward to measure and calculate in vacuum and gas-phase environments, adsorption energetics can be dramatically altered by the presence of solvent in liquid-phase reactions. However, the effects of metal composition on binding strengths in a liquid environment are less well understood, primarily due to the difficulty of accurate in situ measurements of organic binding on metal surfaces in the liquid phase. Here, we utilize the motion of active particles in water to probe the adsorption energies of an organic adsorbate (furfural) on a range of metal surfaces (pure Pd, pure Pt, and four PdAu alloy compositions) to elucidate the effect of metal composition. Janus particles with catalytic caps of particular metal compositions all exhibited active motion resulting from consumption of H 2 O 2 ; adsorbate binding was inferred through the decrease in the velocity of active motion and was modeled by a Langmuir adsorption isotherm. The measured adsorption affinities were used to extract the adsorption enthalpy of furfural on the different metals. The Pd surface was found to bind furfural more strongly than the Pt surface by some 10 kJ/mol. Furthermore, the adsorption of furfural on the alloys was found to increase monotonically in magnitude with Pd content. As a result, the data reported herein aid the development of accurate understanding of organic adsorption in the presence of solvent and the role of the metal surface in tuning adsorption strengths to optimize catalytic processes in the liquid phase.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Particle dynamics and geometric optics in Chern–Simons black holes

Highlights: • Black holes in Chern–Simons modified gravity have been studied. • The effects of the coupling constant of the Chern–Simons gravity on some physical quantities have been investigated. • The dependence of Hawking mass and Penrose process on the coupling constant is studied. • Rotation of the polarization vector is also studied for dependence on the Chern–Simons coupling constant. In this paper we study the effects of the coupling constant of the Chern–Simons modified gravity on some physical properties of black holes. The Hawking mass is one of the proposed definitions of quasilocal mass. We find that, for slowly rotating Chern–Simons black holes, the Hawking mass is independent of the coupling constant. Next, we show the dependence on the centre of mass energy, for two neutral colliding particles, of coupling constant and the rotation parameter. We also investigate energy extraction through Penrose process and find that the energy gain and efficiency of the Penrose process are independent of this coupling constant. Rotation of the polarization vector is also studied for dependence on the Chern–Simons coupling constant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Direct Observations of Particle Dynamics in Magnetized Collisionless Shock Precursors in Laser-Produced Plasmas

We present the first laboratory observations of time-resolved electron and ion velocity distributions in magnetized collisionless shock precursors. Thomson scattering of a probe laser beam was used to observe the interaction of a laser-driven, supersonic piston plasma expanding through an ambient plasma in an external magnetic field. From the Thomson-scattered spectra we measure time-resolved profiles of electron density, temperature, and ion flow speed, as well as spatially resolved magnetic fields from proton radiography. We observe direct evidence of the coupling between piston and ambient plasmas, including the acceleration of ambient ions driven by magnetic and pressure gradient electric fields, and deformation of the piston ion flow, key steps in the formation of magnetized collisionless shocks. Even before a shock has fully formed, we observe strong density compressions and electron heating associated with the pileup of piston ions. Furthermore, the results demonstrate that laboratory experiments can probe particle velocity distributions relevant to collisionless shocks, and can complement, and in some cases overcome, the limitations of similar measurements undertaken by spacecraft missions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1998

Magnetotail Structure and its Internal Particle Dynamics During Northward IMF

This study uses Global magnetohydrodynamic (MHD) simulations driven by solar wind data along with Geotail observations of the magnetotail to investigate the magnetotail's response to changes in the interplanetary magnetic field (IMF); observed events used in the study occurred on March 29, 1993 and February 9, 1995. For events from February 9, 1995, we also use the time-dependent MHD magnetic and electric fields and the large-scale kinetic (LSK) technique to examine changes in the Geotail ion velocity distributions. Our MHD simulation shows that on March 29, 1993, during a long period of steady northward IMF, the tail was strongly squeezed and twisted around the Sun-Earth axis in response to variations in the IMF B(sub y) component. The mixed (magnetotail and magnetosheath) plasma observed by Geotail results from the spacecraft's close proximity to the magnetopause and its frequent crossings of this boundary. In our second example (February 9, 1995) the IMF was also steady and northward, and in addition had a significant B(sub y) component. Again the magnetotail was twisted, but not as strongly as on March 29, 1993. The Geotail spacecraft, located approximately 30 R(sub E) downtail, observed highly structured ion distribution functions. Using the time-dependent LSK technique, we investigate the ion sources and acceleration mechanisms affecting the Geotail distribution functions during this interval. At 1325 UT most ions are found to enter the magnetosphere on the dusk side earthward of Geotail with a secondary source on the dawn side in the low latitude boundary layer (LLBL). A small percentage come from the ionosphere. By 1347 UT the majority of the ions come from the dawn side LLBL. The distribution functions measured during the later time interval are much warmer, mainly because particles reaching the spacecraft from the dawnside are affected by nonadiabatic scattering and acceleration in the neutral sheet.

Ashour-Abdalia, M.↗
NASA NTRS1998

Magnetotail Structure and its Internal Particle Dynamics During Northward IMF

This study uses Global magnetohydrodynamic (MHD) simulations driven by solar wind data along with Geotail observations of the magnetotail to investigate the magnetotail's response to changes in the interplanetary magnetic field (IMF); observed events used in the study occurred on March 29, 1993 and February 9, 1995. For events from February 9, 1995, we also use the time-dependent MHD magnetic and electric fields and the large-scale kinetic (LSK) technique to examine changes in the Geotail ion velocity distributions. Our MHD simulation shows that on March 29, 1993, during a long period of steady northward IMF, the tail was strongly squeezed and twisted around the Sun-Earth axis in response to variations in the IMF B(sub y) component. The mixed (magnetotail and magnetosheath) plasma observed by Geotail results from the spacecraft's close proximity to the magnetopause and its frequent crossings of this boundary. In our second example (February 9, 1995) the IMF was also steady and northward, and in addition had a significant B(sub y) component. Again the magnetotail was twisted, but not as strongly as on March 29, 1993. The Geotail spacecraft, located approximately 30 R(sub E) downtail, observed highly structured ion distribution functions. Using the time-dependent LSK technique, we investigate the ion sources and acceleration mechanisms affecting the Geotail distribution functions during this interval. At 1325 UT most ions are found to enter the magnetosphere on the dusk side earthward of Geotail with a secondary source on the dawn side in the low latitude boundary layer (LLBL). A small percentage come from the ionosphere. By 1347 UT the majority of the ions come from the dawn side LLBL. The distribution functions measured during the later time interval are much warmer, mainly because particles reaching the spacecraft from the dawn side are affected by nonadiabatic scattering and acceleration in the neutral sheet.

Ashour-Abdalla, M.↗
DOE OSTI2025

Particle dynamics of nanoplastics suspended in water with soil microparticles: insights from small angle neutron scattering (SANS) and ultra-SANS

Small-angle neutron scattering (SANS) and ultra-SANS (USANS) were employed to understand the aggregation behavior and observe the size reduction for nanoplastics (NPs) formed from a biodegradable mulch film, and microparticles of vermiculite (V), an artificial soil, suspended in water in the presence of low convective shear (ex situ stirring) prior to measurements. Neutron contrast matching was employed to minimize the signal of V (by 100-fold) and thereby isolate the signal due to NPs in the neutron beam, as the contrast match point (CMP) for V (67 vol% deuteration of water) differed from that of NPs by more than 20%. The original NPs' size distribution was bimodal: <200 nm and 500–1200 nm, referred to as small and large NPs, i.e., SNPs and LNPs, respectively. In the absence of V, SNPs formed homoaggregates at higher concentrations that decreased with stirring time, while the size of LNPs remained unchanged. The presence of V at 2-fold lower concentration than NPs did not change the size of SNPs but reduced the size of LNPs by nearly 2-fold as stirring time increased. Because the size of SNPs and LNPs did not differ substantially between CMP and 100% D 2 O solvents, it is evident that SNPs and LNPs are mainly composed of NPs and not V. In conclusion, the results suggest that LNPs are susceptible to size reduction through collisions with soil microparticles via convection, yielding SNPs near soil–water interfaces within vadose zones.

Nanoplastics↗