Gyrokinetic simulations of the kinetic electron effects on the electrostatic instabilities on the ITER baseline scenario

The linear and nonlinear simulations are carried out using the gyrokinetic code NLT for the electrostatic instabilities in the core region of a deuterium plasma based on the International Thermonuclear Experimental Reactor(ITER)baseline scenario.The kinetic electron effects on the linear frequency and nonlinear transport are studied by adopting the adiabatic electron model and the fully drift-kinetic electron model in the NLT code,respectively.The linear simulations focus on the dependence of linear frequency on the plasma parameters,such as the ion and electron temperature gradientsκ_(Ti,e)≡R=L_(Ti,e),the density gradientκ_(n)≡R/L_(n)and the ion-electron temperature ratioτ=T_(e)=T_(i).Here,is the major radius,and T_(e)and T_(i)denote the electron and ion temperatures,respectively.L_(A)=-(δ_(r)lnA)^(-1)is the gradient scale length,with denoting the density,the ion and electron temperatures,respectively.In the kinetic electron model,the ion temperature gradient(ITG)instability and the trapped electron mode(TEM)dominate in the small and large k_(θ)region,respectively,wherek_(θ)is the poloidal wavenumber.The TEMdominant region becomes wider by increasing(decreasing)κ_(T_(e))(κ_(T_(i)))or by decreasingκ_(n).For the nominal parameters of the ITER baseline scenario,the maximum growth rate of dominant ITG instability in the kinetic electron model is about three times larger than that in the adiabatic electron model.The normalized linear frequency depends on the value ofτ,rather than the value of T_(e)or T_(i),in both the adiabatic and kinetic electron models.The nonlinear simulation results show that the ion heat diffusivity in the kinetic electron model is quite a lot larger than that in the adiabatic electron model,the radial structure is finer and the time oscillation is more rapid.In addition,the magnitude of the fluctuated potential at the saturated stage peaks in the ITGdominated region,and contributions from the TEM(dominating in the higher k_(θ)region)to the nonlinear transport can be neglected.In the adiabatic electron model,the zonal radial electric field is found to be mainly driven by the turbulent energy flux,and the contribution of turbulent poloidal Reynolds stress is quite small due to the toroidal shielding effect.However,in the kinetic electron model,the turbulent energy flux is not strong enough to drive the zonal radial electric field in the nonlinear saturated stage.The kinetic electron effects on the mechanism of the turbulence-driven zonal radial electric field should be further investigated.

Effect of Kinetic Alfvén Waves on Electron Transport in an Ion-Scale Flux Rope

At the Earth＇s magnetopause, the electron transport due to kinetic Alfvén waves（KAWs） is investigated in an ion-scale flux rope by the Magnetospheric Multiscale mission. Clear electron dropout around 90° pitch angle is observed throughout the flux rope, where intense KAWs are identified. The KAWs can effectively trap electrons by the wave parallel electric field and the magnetic mirror force, allowing electrons to undergo Landau resonance and be transported into more field-aligned directions. The pitch angle range for the trapped electrons is estimated from the wave analysis, which is in good agreement with direct pitch angle measurements of the electron distributions. The newly formed beam-like electron distribution is unstable and excites whistler waves,as revealed in the observations. We suggest that KAWs could be responsible for the plasma depletion inside a flux rope by this transport process, and thus be responsible for the formation of a typical flux rope.

EFFECTS OF PREPARATOIN CONDITIONS ON THE KINETIC PROPERTIES OF COMPLEX-RESINS

The effects of the reaction temperature, the crosslinking degree of the matrix, the pore-forming agent and the initial concentration of PVA on the kinetic properties of the complex-resins were investigated. The ion-exchange rate of the complex-resin for L-lysine chlorate was three-fold that of 001×8 resin and two-fold that of D61 resin.

Effects of Lead on pH and Temperature-Dependent Substrate-Activation Kinetics of ATPase System and its Protection by Thiol Compounds in Rat Brain

Lead (Pb) inhibited the activities of Na+ -K+ ATPase (IC50= 2.0×10^(-6) M), K + -Para-Nitrophenyl phosphatase (PNPPase) (IC50= 3.5×10^(-6) M) and [3H]-ouabain binding (IC50 = 4.0×10^(-5) M) in rat brain P2 fraction. A variable temperature or pH significantly elevated the inhibition of Na+-K+ ATPase by Pb in buffered acidic, neutral and alkaline pH ranges. Noncompetitive inhibition with respect to activation of Na+ -K+ ATPase by ATP was indicated by a variation in Vmax values with no significant changes in Km values at any temperature studied. In the presence of Pb, for Na+ -K+ ATPase at pH 6.5 and 8.5, Vmax was decreased with an increase in Km values suggesting a mixed type of inhibition. Sulfhydryl agents such as dithiothreitol (DTT) and cvsteine (Cyst), but not glutathione (GSH) offered varied levels of protection against Pb-inhibition of Na + -K+ ATPase at pH 7.5 and 8.5. The present data suggest that inhibition of Na+ -K+ ATPase by Pb is both temperature and pH-dependent. These results also indicate that Pb inhibited Na + -K + ATPase by interfering with phosphorylation of enzyme molecule and dephosphorylation of the enzyme-phosphoryl complex and exerted an effect similar to that of SH-blocking agents.

Kinetics of Glass Transition and Crystallization in Carbon Nanotube Reinforced Mg-Cu-Gd Bulk Metallic Glass

Mg65Cu25Gd10 bulk metallic glass and its carbon nanotube reinforced composite were prepared. Differential scanning calorimeter （DSC） was used to investigate the kinetics of glass transition and crystallization processes. The influence of CNTs addition to the glass matrix on the glass transition and crystallization kinetics was studied. It is shown that the kinetic effect on glass transition and crystallization are preserved for both the monothetic glass and its glass composite. Adding CNTs in to the glass matrix reduces the influence of the heating rate on the crystallization process. In addition, the CNTs increase the energetic barrier for the glass transition. This results in the decrease of GFA. The mechanism of the GFA decrease was also discussed.

Enhanced CO oxidation over potassium-promoted Pt/Al_2O_3 catalysts:Kinetic and infrared spectroscopic study

A series of K-promoted Pt/Al2O3 catalysts were tested for CO oxidation. It was found that the addition of K significantly enhanced the activity. A detailed kinetic study showed that the activation energies of the K-containing catalysts were lower than those of the K-free ones, particularly for catalysts with high Pt contents （51.6 k）/mol for 0.42K-2.0Pt/Al2O3 and 6：3.6 kJ/mol for 2.0Pt/Al2O3 ）. The CO reaction orders were higher for the K-containing catalysts （about -0.2） than for the K-free ones （about -0.5）, with the former having much lower equilibrium constants for CO adsorption than the latter. In situ Fourier-transform infrared spectroscopy showed that surface CO desorption from the 0.42K-2.0Pt/Al2O3 catalyst was easier than from 2.0Pt/Al2O3. The promoting effect of K was therefore caused by weakening of the interactions between CO and surface Pt atoms. This decreased coverage of the catalyst with CO and facilitated competitive O2 chemisorption on the Pt surface, and significantly lowered the reaction barrier between chemisorbed CO and O2 species.

Oxidation kinetics regularity in spontaneous combustion of gas coal

In order to investigate the oxidation kinetics of gas coal at low temperatures, we derived a rate equation of oxygen consumption during low-temperature oxidation of gas coal and deduced an E-c equation, expressing the relation between active energy E and oxygen concentration c. The reaction order n and active energy E were calculated with this equation based on experiments of static oxygen consumption tests. In addition, we proved the rationality of the E-c equation using a kinetic compensation effect and obtained the isokinetic temperature Tc. The results show that： 1） the gas coal oxidizes easily with increasing temperature and the oxidation tends to be spontaneous at higher temperatures; 2） the oxygen concentration c affects oxygen consumption very much at lower temperatures but has only a small effect at higher temperatures; 3） the isokinetic temperature Tc was 127 ℃ which has been experimentally validated as the key turning point during low-temperature spontaneous combustion of gas coal.

Kinetics of petroleum coke/biomass blends during co-gasification

The co-gasification behavior and synergistic effect of petroleum coke, biomass, and their blends were studied by thermogravimetric analysis under CO2 atmosphere at different heating rates. The isoconversional method was used to calculate the activation energy. The results showed that the gasification process occurred in two stages： pyrolysis and char gasification. A synergistic effect was observed in the char gasification stage. This effect was caused by alkali and alkaline earth metals in the biomass ash. Kinetics analysis showed that the activation energy in the pyrolysis stage was less than that in the char gasification stage. In the char gasification stage, the activation energy was 129.1–177.8 k J/mol for petroleum coke, whereas it was 120.3–150.5 k J/mol for biomass. We also observed that the activation energy calculated by the Flynn–Wall–Ozawa（FWO） method were larger than those calculated by the Kissinger–Akahira–Sunosen（KAS） method. When the conversion was 1.0, the activation energy was 106.2 k J/mol when calculated by the KAS method, whereas it was 120.3 k J/mol when calculated by the FWO method.

Equilibrium and kinetic Si isotope fractionation factors and their implications for Si isotope distributions in the Earth's surface environments

Several important equilibrium Si isotope fractionation factors among minerals,organic molecules and the H_4SiO_4 solution are complemented to facilitate the explanation of the distributions of Si isotopes in Earth's surface environments.The results reveal that,in comparison to aqueous H_4SiO_4,heavy Si isotopes will be significantly enriched in secondary silicate minerals.On the contrary,quadra-coordinated organosilicon complexes are enriched in light silicon isotope relative to the solution.The extent of ^(28)Si-enrichment in hyper-coordinated organosilicon complexes was found to be the largest.In addition,the large kinetic isotope effect associated with the polymerization of monosilicic acid and dimer was calculated,and the results support the previous statement that highly ^(28)Sienrichment in the formation of amorphous quartz precursor contributes to the discrepancy between theoretical calculations and field observations.With the equilibrium Si isotope fractionation factors provided here,Si isotope distributions in many of Earth's surface systems can be explained.For example,the change of bulk soil δ^(30)Si can be predicted as a concave pattern with respect to the weathering degree,with the minimum value where allophane completely dissolves and the total amount of sesquioxides and poorly crystalline minerals reaches their maximum.When,under equilibrium conditions,the well-crystallized clays start to precipitate from the pore solutions,the bulk soil δ^(30)Si will increase again and reach a constant value.Similarly,the precipitation of crystalline smectite and the dissolution of poorly crystalline kaolinite may explain the δ^(30)Si variations in the ground water profile.The equilibrium Si isotope fractionations among the quadracoordinated organosilicon complexes and the H_4SiO_4solution may also shed light on the Si isotope distributions in the Si-accumulating plants.

Rate Coecients and Kinetic Isotope E ects of Cl+XCl→XCl+Cl(X=H,D,Mu)Reactions from Ring Polymer Molecular Dynamics

The ring-polymer molecular dynamics(RPMD)was used to calculate the thermal rate coefficients and kinetic isotope effects of the heavy-light-heavy abstract reaction Cl+XCl→XCl+Cl(X=H,D,Mu).For the Cl+HCl reaction,the excellent agreement between the RPMD and experimental values provides a strong proof for the accuracy of the RPMD theory.And the RPMD results are also consistent with results from other theoretical methods including improved-canonical-variational-theory and quantum dynamics.The most novel finding is that there is a double peak in Cl+MuCl reaction near the transition state,leaving a free energy well.It comes from the mode softening of the reaction system at the peak of the potential energy surface.Such an explicit free energy well suggests strongly there is an observable resonance.And for the Cl+DCl reaction,the RPMD rate coefficient again gives very accurate results compared with experimental values.The only exception is at the temperature of 312.5 K,results from RPMD and all other theoretical methods are close to each other but slightly lower than the experimental value,which indicates experimental or potential energy surface deficiency.

Non-Isothermal Desolvation Kinetics of Erythromycin A Acetone Solvate

The desolvation of erythromycin acetone solvate was investigated under non-isothermal conditions by a thermogravimetric analyzer. This paper emphasized the kinetic analysis of non-isothermal TG-DTA data by Achar method and Coats-Redfern method to fit various solid-state reaction models, and to achieve kinetic parameters of desolvation. The mechanism of thermal desolvation was evaluated using the kinetic compensation effect. The results show that kinetics of desolvation of erythromycin acetone solvate was compatible with the mechanism of a two-dimensional diffusion controlled and was best expressed by Valensi equation. Corresponding to the integral method and the differential method, the activation energy of desolvation of erythromycin acetone solvate was estimated to be 51.26—57.11 kJ/mol, and the pre-exponential factor was 8.077×106 s-1—4.326×107 s-1, respectively.

Nonequilibrium kinetics effects in Richtmyer–Meshkov instability and reshock processes

Kinetic effects in the inertial confinement fusion ignition process are far from clear.In this work,we study the Richtmyer-Meshkov instability and reshock processes by using a two-fluid discrete Boltzmann method.The work begins by interpreting the experiment conducted by Collins and Jacobs(2002,J.Fluid Mech.464,113-136).It shows that the shock wave causes substances in close proximity to the substance interface to deviate more significantly from their thermodynamic equilibrium state.The thermodynamic non-equilibrium(TNE)quantities exhibit complex but inspiring kinetic effects in the shock process and behind the shock front.The kinetic effects are detected by two sets of TNE quantities.The first set includes∣Δ_(2)^(*)∣,∣Δ_(3,1)^(*),∣Δ_(3)^(*)∣,and∣Δ_(4,2)^(*)∣,which correspond to the intensities of the non-organized momentum Flux(NOMF),Non-Organized Energy Flux(NOEF),the flux of NOMF and the flux of NOEF.All four TNE measures abruptly increase in the shock process.The second set of TNE quantities includes■_(NOMF),■_(NOEF)and■_(sum),which denote the entropy production rates due to NOMF,NOEF and their summation,respectively.The mixing zone is the primary contributor to■_(NOEF),while the flow field region outside of the mixing zone is the primary contributor to■_(NOMF).Additionally,each substance exhibits different behaviors in terms of entropy production rate,and the lighter fluid has a higher entropy production rate than the heavier fluid.

Simulations of Stable Isotopic Fractionation in Mixed Cloud in Middle Latitudes-Taking the Precipitation at Urumqi as an Example

The introduced mathematical model takes into account the role of the kinetic fractionation effect in a supersaturation environment at the ice surface as liquid and solid phases coexist in mixed cloud. Using the model, the temperature effect of stable isotopes in precipitation is simulated under different cooling conditions. The rate of change of δ18O against temperature in the process of wet adiabatic cooling is smaller than in the process of isobaric cooling under the same humidity. The increasing supersaturation ratio at the ice surface, Si, leads to the strengthening of the kinetic fractionation effect. The kinetic fractionation function makes the synthesis fractionation factor decreased and the change of δ18O with temperature flatted, compared with that in the equilibrium state. The simulated results show that the slope parameter b and the intercept d of the meteoric water line (MWL), 6D = bδ18O+d, in wet adiabatic cooling are both greater than those in isobaric cooling. The global MWL lies between the two MWLs simulated under wet adiabatic and isobaric cooling processes, respectively. The magnitudes of 6 and d are directly proportional to Si. The greater the Si, the stronger the kinetic fractionation effect, and thus the greater the 6 and d, and vice versa. However, 6 and d have low sensitivity to the liquid-water contents in the cloud. Using the kinetic fractionation model, the variation of stable isotopes in precipitation at Uriimqi is simulated. The simulated stable isotopic ratio vs temperature and the SD vs δ18O curves are very consistent with the actual regressions and MWL at Uriimqi, respectively.

Turbulence in the near-Venusian space: Venus Express observations

With Venus Express magnetic field measurements at 32 Hz from 2006 to 2012, we investigate statistically the magnetic fluctuations in the near-Venusian space. The global spatial distribution of their spectral scaling features is presented in MHD and kinetic regimes. It can be observed that turbulence is a common phenomenon in the solar wind in both regimes. The solar wind MHD turbulence is modified at the Venusian bow shock;MHD turbulence is absent in the Venusian magnetosheath but present at the magnetosheath boundary layer. Pre-existing kinetic turbulence from the far upstream solar wind is modified in the near solar wind region, while kinetic turbulence can be extensively observed throughout the Venusian magnetosheath and in some regions of the induced magnetosphere. Our results reveal that, in the near-Venusian space, energy cascade can be developed at the boundary between magnetosheath and wake, and the turbulence-related dissipation of magnetic energy occurs extensively in the magnetosheath and the induced magnetosphere.

The role of proton dynamics on the catalyst-electrolyte interface in the oxygen evolution reaction

The development of non‐precious metal catalysts that facilitate the oxygen evolution reaction(OER)is important for the widespread application of hydrogen production by water splitting.Various perovskite oxides have been employed as active OER catalysts,however,the underlying mechanism that occurs at the catalyst‐electrolyte interface is still not well understood,prohibiting the design and preparation of advanced OER catalysts.Here,we report a systematic investigation into the effect of proton dynamics on the catalyst‐electrolyte interfaces of four perovskite catalysts:La_(0.5)Sr_(0.5)CoO_(3‐δ)(LSCO),LaCoO_(3),LaFeO_(3),and LaNiO_(3).The pH‐dependent OER activities,H/D kinetic isotope effect,and surface functionalization with phosphate anion groups were investigated to elucidate the role of proton dynamics in the rate‐limiting steps of the OER.For oxides with small charge‐transfer energies,such as LSCO and LaNiO_(3),non‐concerted proton‐coupled electron transfer steps are involved in the OER,and the activity is strongly controlled by the proton dynamics on the catalyst surface.The results demonstrate the important role of interfacial proton transfer in the OER mechanism,and suggest that proton dynamics at the interface should carefully be considered in the design of future high‐performance catalysts.

Computation of kinetic isotope effects for enzymatic reactions

We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanical(QM/MM) potential in which the bond forming and breaking processes are modeled by electronic structure theory,and(2) a free energy perturbation method in path integral simulation is used to determine both kinetic isotope effects(KIEs).In this approach,which is called the PI-FEP/UM method,a light(heavy) isotope is mutated into a heavy(light) counterpart in centroid path integral simulations.The method is illustrated in the study of primary and secondary KIEs in two enzyme systems.In the case of nitroalkane oxidase,the enzymatic reaction exhibits enhanced quantum tunneling over that of the uncatalyzed process in water.In the dopa delarboxylase reaction,there appears to be distinguishable primary carbon-13 and secondary deuterium KIEs when the internal proton tautomerism is in the N-protonated or in the O-protonated positions.These examples show that the incorporation of quantum mechanical effects in enzyme kinetics modeling offers an opportunity to accurately and reliably model the mechanisms and free energies of enzymatic reactions.

Probing the Missing Baryons via kSZ Stacking

Kinetic Sunyaev-Zel＇dovich （kSZ） stacking has great potential to become a powerful probe of missing baryons, due to advances in CMB experiments and galaxy surveys. In this paper, we study kSZ stacking in hydrodynamic simulations with different gastrophysics. We quantify the kSZ stacking signal as a function of halo mass, redshift and projection depth. We compare between different simulations to estimate the impact of gastrophysics such as cooling and supernova feedback. Furthermore, we measure the contribution from warm-hot intergalactic medium （WHIM）, which is believed to be the reservoir for most, if not all, missing baryons. We find that the WHIM contribution is significant, at the level of ~ 10%-70%, depending on the angular separation from the stacked halos and other factors. However, contribution from the intracluster medium along the line of sight is in general non-negligible. This complexity requires more detailed and comprehensive analysis on probing the missing baryons with kSZ stacking.

Design of the Mobile Phone Charging Device based on Human Motion Energy and Light Energy

This paper designs a mechanical swing of placementing mobile phone, which is inspired by the mechanical watch automatic winding process. The use of the kinetic energy generated by human body motion drives the wheel swing and the generator, it can carry out mobile phone additional charge through the electronic components rectifier and DC/DC converter regulator, the use of human motion and light energy can extend a fixed charge mobile phone standby time. The human motion power uses electromagnetic coupling technique and collects energy by using foot swing, solar power generation uses DSP chip in TMS320F28927 control a plurality of charging circuit, inverter circuit and solar maximum power point tracking by sampling and multiple output PWM wave. Finally, charging process has the basic constant current process discovered by device testing, the design of human motion and light energy mobile phone charger can satisfy the need of mobile phone rechargeable lithium batteries.

A hybrid nickel/iron-pyromellitic acid electrocatalyst for oxygen evolution reaction

The migration of protons during the oxygen evolution reaction(OER)is a key factor that affects the performance of OER catalysts.To enhance proton transportation,we designed a catalyst based on nickel/iron-pyromellitic acid(NiFe-PMA)prepared by the electrochemical deposition method.This catalyst exhibited a low overpotential of 188 mV at a current density of 10 mA·cm^(-2),a Tafel slope of 28.2 mV·dec^(-1),and long-term stability for 30 days with a current of 50 mA·cm^(-2).We characterized the NiFe-PMA catalyst using various techniques,including Fourier transform infrared(FTIR)spectroscopy,Raman spectroscopy,X-ray photoelectron spectroscopy(XPS),X-ray absorption spectroscopy(XAS),transmission electron microscopy(TEM),scanning electron microscopy(SEM),and inductively coupled plasma-optical emission spectrometry(ICP-OES).Our results showed that NiFe-PMA contains nickel,iron atoms,and both coordinated and uncoordinated carboxylate groups.Additionally,XPS data confirmed that carboxylate ligands could adjust the outer electronic structure of metal ions,resulting in the high valence state of Ni in NiFe-PMA.The result of XAS indicated that the nickel atoms present in the catalyst might be easier to maintain a higher chemical state.Further investigations using kinetic isotope effects(KIEs)and proton inventory revealed that the uncoordinated carboxylic protons played a crucial role in receiving protons during the OER,which promoted the proton transfer of the rate-determining step of the OER.Our novel electrocatalysts provide a new strategy for designing more active and cost-effective catalysts for the OER.

Intramolecular carbon isotope of propane from coal-derived gas reservoirs of sedimentary basins:Implications for source,generation and post-generation of hydrocarbons

An intramolecular isotopic study was conducted on natural gases collected from coal-derived gas reser-voirs in sedimentary basins of China to determine their position-specific isotope distributions.The propane from the Turpan-Hami Basin exhibited negativeΔc-T(δ13Ccentral-δ13Cterminal)values ranging from-3.9‰to-0.3‰,with an average of-2.1‰.Propane from the Ordos Basin,Sichuan Basin,and Tarim Basin showed positiveΔC-T values,with averages of 1.3‰,5.4‰and 7.6‰,respectively.Positionspecific carbon isotope compositions reveal the precursors and the propane generation pathways in the petroliferous basins.Propane formed from the thermal cracking of TypeⅢkerogen has largerδ13Ccentral andδ13Cterminal values than propane from TypeⅠ/Ⅱkerogen.The precursor for natural gases collected in this study is identified to be TypeⅢkerogen.Comparing our data to calculated results for thermal cracking of TypeⅢkerogen,we found that propane from the low-maturity gas reservoir in the Turpan Basin was generated via the i-propyl radical pathway,whereas propane from the Sulige tight gas reservoir in the Ordos Basin was formed via the n-propyl radical pathway.δ13Cterminal values covered a narrow range across basins,in contrast toδ13Ccentral.The terminal carbon position in propane is less impacted by microbial oxidation and more relevant to maturity levels and precursors.Thus,δ13Cterminal has a good potential to infer the origin and maturity level of natural gas.In examining post-generation processes,we proposed an improved identification strategy for microbial oxidation of natural gases,based on the position-specific carbon isotope distributions of propane.Samples from the Liaohe Depression of the Bohai Bay Basin and the Sichuan Basin were detected of post-generation microbial oxidation.Overall,position-specific carbon isotope composition of propane provides new insights into the generation mechanism and post-generation processes of natural gas in the geological period at the atomic level.