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At least 1,387 records · Page 77

Dynamics of inverse metal oxides on metal catalysts using spectro-kinetics: reversible Brønsted acid site formation and irreversible reduction

Brønsted acid sites (BASs) in inverse catalysts are vital for the selective hydrogenolysis of polyols, specifically cleaving secondary C–O bonds. These BASs form dynamically in situ in an H 2 environment. While H 2 enables rapid BAS generation on short timescales, it reduces the catalyst at prolonged exposures. The active center for BAS generation, the kinetics of BAS formation, its reverse decomposition, and the irreversible oxide reduction have lacked direct experimental evidence. Here, aided by advanced spectro-kinetic studies, we identify trimeric W 3 O x sites on Pt as the active centers for BAS generation, whereas isolated WO x species on SiO 2 act merely as spectator species, demonstrated using an inverse WO x /Pt catalyst as a representative system. A detailed kinetic profile capturing the dynamics of W 3 O x sites on Pt is also established. The rate constant for BAS formation is two orders of magnitude higher than for its decomposition, which is one order of magnitude faster than the irreversible site reduction. Co-fed H 2 O suppresses the site reduction by ∼50%. Furthermore, the H 2 partial pressure plays an important role. While lower gas-phase H 2 partial pressure does not influence the reversible BAS formation, it can significantly (∼3×) suppress catalyst reduction. Finally, these findings offer critical insights into optimizing reaction conditions through periodic H 2 pulsing, enhancing catalyst stability and performance in hydrogenolysis reactions.

Sourav, Sagar [Indian Inst. of Technology (IIT), M↗

Probing the proton exchange kinetics of BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3− δ ceramic electrolyte by operando diffuse reflectance infrared Fourier transform spectroscopy

Proton exchange kinetics plays an important role in governing the performance of intermediate-temperature protonic ceramic electrolysis cells (PCECs) for hydrogen production. Our understanding of the nature of the surface hydration reaction at the single-cell level, however, remains very limited, hampering further efficiency improvements. Here, in this study, we developed a custom operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) platform that operates under high temperature and steam conditions with applied bias. Quantitative investigations of surface H 2 O/D 2 O isotope exchange in a BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3−δ (BZCYYb1711) protonic electrolyte-based single cell were conducted under different applied voltages using this DRIFTS platform, to gain molecular-level insight into hydration kinetics. The findings show that the application of an external voltage significantly enhances the surface proton exchange rate, decreasing the apparent activation energy from 29.1 kJ mol −1 at open-circuit voltage (OCV) to 6.8 kJ mol −1 at 1.3 V. In addition, distinct voltage-induced spectral shifts in O–D vibrations point to dynamic changes in surface hydration. These findings demonstrate a sensitive spectroscopic platform for probing interfacial proton processes and reveal strong electrochemical control over surface proton kinetics, offering new opportunities for probing electrolyte hydration behavior in PCECs.

36 - MATERIALS SCIENCE↗

Solubility-limited depolymerization kinetics in the glycolysis of carbonyl-containing polymers

Chemical recycling of condensation polymers is often rationalized on the basis of the intrinsic reactivity of ester and carbonate functional groups. However, under heterogeneous conditions relevant to plastic waste processing and environmental degradation, bulk depolymerization rates often diverge from trends predicted by homogeneous chemistry. Here, we investigate how polymer–solvent compatibility, catalyst strength, and phase behavior govern the heterogeneous glycolysis of carbonyl-containing polymers. Using poly(ethylene terephthalate) (PET), glycol-modified PET (PETG), and bisphenol-A polycarbonate (PC) as model systems, we examine depolymerization kinetics at 180 °C with ethylene glycol and bisphenol A as diols under both amphoteric organosalt (TBD : MSA) and strong base (TBD) catalysis. Despite substantial differences in crystallinity and glycol uptake, PET and PETG depolymerize at comparable rates under organosalt catalysis, while PC depolymerizes significantly more slowly under identical conditions. Time-resolved molecular weight analysis and thermal characterization demonstrate that these rate differences do not arise from crystallinity, swelling, or inherent carbonyl reactivity, but instead reflect solubility-limited kinetics that constrain the transition from heterogeneous to homogeneous reaction regimes. When polymer solubility is low, depolymerization remains heterogeneous and slow; when solubility is enhanced—either through increased polymer–diol compatibility or stronger base catalysis—rapid homogeneous depolymerization is observed, reversing apparent reactivity trends. These results establish solubility and phase behavior as primary determinants of depolymerization kinetics in heterogeneous polymer recycling systems. By demonstrating how catalyst selection and solvent compatibility can expose or overcome solubility limitations, this work provides mechanistic insight to design more energy-efficient and selective chemical recycling processes. More broadly, these findings suggest that polymers with limited solvent or water compatibility may resist chemical degradation in the environment, favoring fragmentation and persistence as micro- and nanoplastics. Understanding solubility-controlled depolymerization offers a pathway toward more sustainable polymer design and end-of-life chemical recovery.

Watson-Sanders, Shelby [Department of Chemistry, U↗

The role of kinetic effects, including plasma rotation and energetic particles, in resistive wall mode stability

The resistive wall mode (RWM) instability in high-beta tokamaks is stabilized by energy dissipation mechanisms that depend on plasma rotation and kinetic effects. Kinetic modification of ideal stability calculated with the 'MISK' code [B. Hu et al., Phys. Plasmas 12, 057301 (2005)] is outlined. For an advanced scenario ITER [R. Aymar et al., Nucl. Fusion 41, 1301 (2001)] plasma, the present calculation finds that alpha particles are required for RWM stability at presently expected levels of plasma rotation. Kinetic stabilization theory is tested in an experiment in the National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)] that produced marginally stable plasmas with various energetic particle contents. Plasmas with the highest and lowest energetic particle content agree with calculations predicting that increased energetic particle pressure is stabilizing but does not alter the nonmonotonic dependence of stability on plasma rotation due to thermal particle resonances. Presently, the full MISK model, including thermal particles and an isotropic slowing-down distribution function for energetic particles, overpredicts stability in NSTX experiments. Minor alteration of either effect in the theory may yield agreement; several possibilities are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Re-entrant kinetic arrest and elasticity of concentrated suspensions of spherical and nonspherical repulsive and attractive colloids

We have designed and studied a new experimental colloidal system to probe how the weak shape anisotropy of uniaxial particles and variable repulsive (Coulombic) and attractive (van der Waals) forces influence slow dynamics, shear elasticity, and kinetic vitrification in dense suspensions. The introduction of shape anisotropy dramatically delays kinetic vitrification and reduces the shear elastic modulus of colloidal diatomics relative to their chemically identical spherical analogs. Tuning the interparticle interaction from repulsive, to nearly hard, to attractive by increasing suspension ionic strength reveals a nonmonotonic re-entrant dynamical phase behavior (glass–fluid–gel) and a rich variation of the shear modulus. The experimental results are quantitatively confronted with recent predictions of ideal mode coupling and activated barrier hopping theories of kinetic arrest and elasticity, and good agreement is generally found with a couple of exceptions. Furthermore, the systems created may have interesting materials science applications such as flowable ultrahigh volume fraction suspensions, or responsive fluids that can be reversibly switched between a flowing liquid and a solid nonequilibrium state based on in situ modification of suspension ionic strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A comparison of fluid and kinetic models of steady magnetic reconnection

For steady magnetic reconnection in a current sheet, a two-fluid model that includes tensor pressure is compared with kinetic simulations. The kinetic simulations model a Harris sheet in two dimensions with prescribed inflow and free outflow. The two-fluid model provides solutions along the symmetry line from the inflow boundary to the flow stagnation point. The model assumes incompressibility and neglects the Hall current. Profiles from the inflow boundary to the X-point of the out-of-plane electric field and the terms in Ohm's law that contribute to it from the simulation and from the fluid model agree in almost every detail. The best agreement is obtained when relaxation of the tensor pressure to isotropy occurs on time scales comparable to the electron plasma period. On ion scales, the two-fluid and kinetic simulations give similar results when finite Larmor radius physics is included. The ion pressure relaxation scales linearly with the ion/electron mass ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Global limits on kinetic Alfvenon speed in quasineutral plasmas

Large-amplitude kinetic Alfvenon (exact Alfven soliton) matching condition is investigated in quasineutral electron-ion and electron-positron-ion plasmas immersed in a uniform magnetic field. Using the standard pseudopotential method, the magnetohydrodynamics equations are exactly solved, and a global allowed matching condition for propagation of kinetic solitary waves is derived. It is remarked that, depending on the plasma parameters, the kinetic solitons can be sub-Alfvenic or super-Alfvenic, in general. It is further revealed that, either upper or lower soliton speed-limit is independent of fractional plasma parameters. Furthermore, the soliton propagation angle with respect to that of the uniform magnetic field is found to play a fundamental role in controlling the soliton matching speed-range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A comparison of Vlasov with drift kinetic and gyrokinetic theories

A kinetic consideration of an axisymmetric equilibrium with vanishing electric field near the magnetic axis shows that {nabla}f should not vanish on axis within the framework of Vlasov theory while it can either vanish or not in the framework of both a drift kinetic and a gyrokinetic theories (f is either the pertinent particle or the guiding center distribution function). This different behavior, relating to the reduction of phase space which leads to the loss of a Vlasov constant of motion, may result in the construction of different currents in the reduced phase space than the Vlasov ones. This conclusion is indicative of some limitation on the implications of reduced kinetic theories, in particular, as concerns the physics of energetic particles in the central region of magnetically confined plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fully kinetic simulation of ion acoustic and dust-ion acoustic waves

A series of numerical simulations is presented, based on a recurrence-free Vlasov kinetic model using kinetic phase point trajectories. All plasma components are modeled kinetically via a Vlasov evolution equation, then coupled through Poisson's equation. The dynamics of ion acoustic waves in an electron-ion and in a dusty (electron-ion-dust) plasma configuration are investigated, focusing on wave decay due to Landau damping and, in particular, on the parametric dependence of the damping rate on the dust concentration and on the electron-to-ion temperature ratio. In the absence of dust, the occurrence of damping was observed, as expected, and its dependence to the relative magnitude of the electron vs ion temperature(s) was investigated. When present, the dust component influences the charge balance, enabling dust-ion acoustic waves to survive Landau damping even in the extreme regime where T{sub e} {approx_equal} T{sub i}. The Landau damping rate is shown to be minimized for a strong dust concentration or/and for a high value of the electron-to-ion temperature ratio. Our results confirm earlier theoretical considerations and contribute to the interpretation of experimental observations of dust-ion acoustic wave characteristics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On kinetic description of electromagnetic processes in a quantum plasma

A nonlinear kinetic equation for nonrelativistic quantum plasma with electromagnetic interaction of particles is obtained in the Hartree's mean-field approximation. It is cast in a convenient form of Vlasov-Boltzmann-type equation with ''quantum interference integral'', which allows for relatively straightforward modification of existing classical Vlasov codes to incorporate quantum effects (quantum statistics and quantum interference of overlapping particles wave functions), without changing the bulk of the codes. Such modification (upgrade) of existing Vlasov codes may provide a direct and effective path to numerical simulations of nonlinear electrostatic and electromagnetic phenomena in quantum plasmas, especially of processes where kinetic effects are important (e.g., modulational interactions and stimulated scattering phenomena involving plasma modes at short wavelengths or high-order kinetic modes, dynamical screening and interaction of charges in quantum plasma, etc.) Moreover, numerical approaches involving such modified Vlasov codes would provide a useful basis for theoretical analyses of quantum plasmas, as quantum and classical effects can be easily separated there.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evidence of critical balance in kinetic Alfven wave turbulence simulations

A numerical simulation of kinetic plasma turbulence is performed to assess the applicability of critical balance to kinetic, dissipation scale turbulence. The analysis is performed in the frequency domain to obviate complications inherent in performing a local analysis of turbulence. A theoretical model of dissipation scale critical balance is constructed and compared to simulation results, and excellent agreement is found. This result constitutes the first evidence of critical balance in a kinetic turbulence simulation and provides evidence of an anisotropic turbulence cascade extending into the dissipation range. We also perform an Eulerian frequency analysis of the simulation data and compare it to the results of a previous study of magnetohydrodynamic turbulence simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic Alfven double layer formed by electron viscosity

The effect of the electron viscosity on the kinetic Alfven solitary wave is investigated. It is found that small electron viscosity changes the electron motion along the magnetic field producing a boundary layer, and thus that in a low beta electron-ion plasma({beta} Much-Less-Than m{sub e}/m{sub i}), an obliquely propagating kinetic solitary Alfven wave can become a double layer. This double layer can exist in the sub-Alfvenic and super-Alfvenic regimes. The length scale of density drop for this double layer is on the order of that of the conventional kinetic solitary Alfven wave, and thus this double layer can accelerate electrons on a very short length scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

One-dimensional hybrid-direct kinetic simulation of the discharge plasma in a Hall thruster

In order to model the non-equilibrium plasma within the discharge region of a Hall thruster, the velocity distribution functions (VDFs) must be obtained accurately. A direct kinetic (DK) simulation method that directly solves the plasma Boltzmann equation can achieve better resolution of VDFs in comparison to particle simulations, such as the particle-in-cell (PIC) method that inherently include statistical noise. In this paper, a one-dimensional hybrid-DK simulation, which uses a DK simulation for heavy species and a fluid model for electrons, is developed and compared to a hybrid-PIC simulation. Time-averaged results obtained from the hybrid-DK simulation are in good agreement with hybrid-PIC results and experimental data. It is shown from a comparison of using a kinetic simulation and solving the continuity equation that modeling of the neutral atoms plays an important role for simulations of the Hall thruster discharge plasma. In addition, low and high frequency plasma oscillations are observed. Although the kinetic nature of electrons is not resolved due to the use of a fluid model, the hybrid-DK model provides spatially and temporally well-resolved plasma properties and an improved resolution of VDFs for heavy species with less statistical noise in comparison to the hybrid-PIC method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Theory of spatially non-symmetric kinetic equilibria for collisionless plasmas

The problem posed by the possible existence/non-existence of spatially non-symmetric kinetic equilibria has remained unsolved in plasma theory. For collisionless magnetized plasmas, this involves the construction of stationary solutions of the Vlasov-Maxwell equations. In this paper, the issue is addressed for non-relativistic plasmas both in astrophysical and laboratory contexts. The treatment is based on a Lagrangian variational description of single-particle dynamics. Starting point is a non-perturbative formulation of gyrokinetic theory, which allows one to construct 'a posteriori' with prescribed order of accuracy an asymptotic representation for the magnetic moment. In terms of the relevant particle adiabatic invariants generalized bi-Maxwellian equilibria are proved to exist. These are shown to recover, under suitable assumptions, a Chapman-Enskog form which permits an analytical treatment of the corresponding fluid moments. In particular, the constrained posed by the Poisson and the Ampere equations are analyzed, both for quasi-neutral and non-neutral plasmas. The conditions of existence of the corresponding non-symmetric kinetic equilibria are investigated. As a notable feature, both astrophysical and laboratory plasmas are shown to exhibit, under suitable conditions, a kinetic dynamo, whereby the equilibrium magnetic field can be self-generated by the equilibrium plasma currents.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Vlasov versus reduced kinetic theories for helically symmetric equilibria

A new constant of motion for helically symmetric equilibria in the vicinity of the magnetic axis is obtained in the framework of Vlasov theory. In view of this constant of motion the Vlasov theory is compared with drift kinetic and gyrokinetic theories near axis. It turns out that as in the case of axisymmetric equilibria [H. Tasso and G. N. Throumoulopoulos, Phys. Plasmas 18, 064507 (2011)] the Vlasov current density thereon can differ appreciably from the drift kinetic and gyrokinetic current densities. This indicates some limitation on the implications of reduced kinetic theories, in particular, as concerns the physics of energetic particles in the central region of magnetically confined plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Verification of electromagnetic fluid-kinetic hybrid electron model in global gyrokinetic particle simulation

The fluid-kinetic hybrid electron model is verified in global gyrokinetic particle simulation of linear electromagnetic drift-Alfvenic instabilities in tokamak. In particular, we have recovered the {beta}-stabilization of the ion temperature gradient mode, transition to collisionless trapped electron mode, and the onset of kinetic ballooning mode as {beta}{sub e} (ratio of electron kinetic pressure to magnetic pressure) increases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electro-hydrodynamics and kinetic modelling of polluted air flow activated by multi-tip-to-plane corona discharge

The present paper is devoted to the 2D simulation of an Atmospheric Corona Discharge Reactor (ACDR) involving 10 pins powered by a DC high voltage and positioned 7 mm above a grounded metallic plane. The corona reactor is periodically crossed by thin mono filamentary streamers with a natural repetition frequency of some tens of kHz. The simulation involves the electro-dynamic, chemical kinetic, and neutral gas hydrodynamic phenomena that influence the kinetics of the chemical species transformation. Each discharge stage (including the primary and the secondary streamers development and the resulting thermal shock) lasts about one hundred nanoseconds while the post-discharge stages occurring between two successive discharge phases last one hundred microseconds. The ACDR is crossed by a lateral air flow including 400 ppm of NO. During the considered time scale of 10 ms, one hundred discharge/post-discharge cycles are simulated. The simulation involves the radical formation and thermal exchange between the discharges and the background gas. The results show how the successive discharges activate the flow gas and how the induced turbulence phenomena affect the redistribution of the thermal energy and the chemical kinetics inside the ACDR.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic particle simulation of discharge and wall erosion of a Hall thruster

The primary lifetime limiting factor of Hall thrusters is the wall erosion caused by the ion induced sputtering, which is predominated by dielectric wall sheath and pre-sheath. However, so far only fluid or hybrid simulation models were applied to wall erosion and lifetime studies in which this non-quasi-neutral and non-equilibrium area cannot be treated directly. Thus, in this study, a 2D fully kinetic particle-in-cell model was presented for Hall thruster discharge and lifetime simulation. Because the fully kinetic lifetime simulation was yet to be achieved so far due to the high computational cost, the semi-implicit field solver and the technique of mass ratio manipulation was employed to accelerate the computation. However, other artificial manipulations like permittivity or geometry scaling were not used in order to avoid unrecoverable change of physics. Additionally, a new physics recovering model for the mass ratio was presented for better preservation of electron mobility at the weakly magnetically confined plasma region. The validity of the presented model was examined by various parametric studies, and the thrust performance and wall erosion rate of a laboratory model magnetic layer type Hall thruster was modeled for different operation conditions. The simulation results successfully reproduced the measurement results with typically less than 10% discrepancy without tuning any numerical parameters. It is also shown that the computational cost was reduced to the level that the Hall thruster fully kinetic lifetime simulation is feasible.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗