Electron kinetics of molecular nitrogen dc discharge

Boltzmann equation for the electron gas in a DC discharge was solved simultaneously with the system of balance equations governing the populations of the vibrational levels in the ground state of molecular nitrogen. The calculation was performed for a stationary discharge in which the vibrational dissociation mechanism (ladder) is compensated by the wall recombination of nitrogen atoms. The results include the electron and molecular vibrational distributions together with the dissociation degree calculated over a wide range of the discharge parameters.     

Experimental and numerical studies of the electron distribution function in He + O2 dc discharge

Probe measurements of the electron energy distribution in He + O₂ mixture discharge are compared with the results obtained using the Holstein form of the Boltzmann equation. The transport and Townsend coefficients are calculated and in case of pure helium and oxygen they are verified by available experiments. The results are presented for dc discharge over the range 0 to 30% of oxygen admixture in helium and 5×10^?17≦E/N≦2×10^?15 V cm².     

Electron localization of H_2~+ in a dc electric field

A dc electric field is utilized to steer the electron motion after the molecular ion H_2~+ is excited by an ultrashort ultraviolet laser pulse. The numerical simulation shows that the electron localization distribution and the dissociation control ratio are dependent on the polarization direction and amplitude of the dc electric field. Most electrons of the dissociation state move opposite to the dc electric field and stabilize at the dressed-up potential well, for the dressed-down well is occupied by the electrons of the 1 sσ_g state.     

Multiwalled carbon nanotubes mass-produced by dc arc discharge in He–H2 gas mixture

Uniform cathode deposits (longer than 15 mm), containing multiwalled carbon nanotubes (MWNTs) inside, were produced by dc arc discharge evaporation with a computer-controlled feeder of a pure-carbon electrode without a metal catalyst in a He–H₂ gas mixture. The purification of MWNTs was carried out to remove amorphous carbon and carbon nanoparticles. High-resolution transmission electron microscopy observations and Raman scattering studies show that the MWNTs possess a high crystallinity and a mean outermost diameter of ∼ ∼10 nm. It has been confirmed that the current density in the electron field emission from a purified MWNT mat can reach 77.92 mA/cm², indicating that the purified MWNTs are a promising candidate electron source in a super high-luminance light-source tube or a miniature X-ray source.     

Vibrational luminescence of N2O excited by dc discharge: Rotation-vibration constants

High resolution measurements have been performed on 19 emission and absorption bands of the nitrous oxide molecule at 4.7 μm and 2.9 μm. Accurate values of the vibrational and rotational constants of 23 vibration levels were obtained.     

Vacuum ultraviolet absorption in Xe+CF4 and Kr+CF4 mixtures

The absorption spectra of Xe + CF₄ and Kr + CF₄ mixtures in the vacuum ultraviolet region are presented. A considerable broadening of the short-wavelength wings of the atomic absorption lines is explained by a repulsive character of the Rg*-CF₄ interaction potential. This repulsive character is also considered to be the most probable reason for the anomalously small cross sections of the quenching of electronically excited atoms of rare gases by CF₄ molecules. The influence of CF₄ on the emission rate of the trapped resonance radiation of Xe from the cell is discussed.     

To the kinetics and mechanism of magnesium nitridation in a dc discharge

The experimental study of magnesium nitridation simultaneously on the cathode, on the anode and in the positive column of dc nitrogen glow discharge at pressures 0·3 –5 Torr and currents 2–40 mA is presented. Main factors which affect the course of kinetic dependences are discussed. A scheme of possible reaction paths during both thermal and plasma film growth is suggested.     

The influence of NH3 on NO2 conversion in a dc corona discharge in N2:O2:CO2:NO2:NH3 mixture

The aim of this paper is to investigate the influence of NH₃ additive (540–1470 ppm) on the conversion of NO₂ and the creation of NO and N₂O in a mixture of N₂:O₂:CO₂: NO₂:NH₃ subjected to the so-called direct current (dc) corona discharge. The dc corona discharge was generated in a needle-to-plate reactor. Seven positively polarized needles were used as one electrode and a stainless steel plate as the other. The time-averaged discharge current was varied from 0 to 7 mA. It was found that the dc corona discharge decomposed NO₂ and produced NO and N₂O. The reduction of NO₂ was higher without NH₃ additive if the residence time of the operating gas was relatively short. However, in a longer corona discharge processing the NH₃ additive may be useful for reduction of NO₂.Supports from the Research and Development Commitee (KBN) under Programme KBN 0889/P4/93/04 and the Polish Academy of Sciences within IMP 3.1 project are gratefully acknowledged.     

Emission characteristics of a barrier discharge in an Ar-H2O mixture

We have experimentally studied the UV radiation of a low-temperature barrier discharge plasma in an Ar-H₂O mixture. The spectral interval 300–400 nm has been examined in detail. Addition of argon with a pressure of 24 kPa to a barrier discharge in water vapor at a pressure of ～0.1 kPa leads to a ninefold increase in the UV radiation power of excited hydroxyl molecules. An increase in the duration of the UV radiation pulse of the mixture in the longitudinal discharge decay has been achieved for the first time, which may be direct evidence of energy transfer from metastable argon atoms to water molecules. An estimate of the upper boundary of the dissociative excitation rate constant of hydroxyl molecules OH*(A ²Σ⁺) upon interaction of metastable argon atoms with water molecules has been obtained.     

CH3CF2O2+HOO反应的理论研究

使用Gaussian98程序包，在B3LYP/6-311++G**基组水平上对CH3CF2O2+HOO的各反应通道进行了充分研究，过渡态和产物间的联系通过IRC确认．用振动模式分析和电子布居分析对所有反应通道进行了讨论以阐明反应机理．研究结果表明，在能量上CH3CF2CO2+HOO→IM1→TS1→CH3CF2O2H+O2通道最为有利，CH3CF2O2H和O2是主要产物，但CH3OH和CF2O的生成也是可能的．     

The ν2 + ν4 band of 12CF4

From a high-resolution diode laser spectrum of cooled ¹²CF₄, line assignments in ν₂ + ν₄ at 1066.4 cm^?1 have been made for tetrahedral subspecies to J = 20, and in many cases to higher J. Spectroscopic constants have been obtained from a least-squares fit of the Hamiltonian, and the relative intensities of the assigned lines have been calculated. The ground- and excited-state rotational constants, Coriolis constant, and splitting of the F₁ and F₂ vibrational substates have the values a.The CF bond length in the ground vibrational state is thus $\text{r}{}_0\text{= 1.31752 ± 0.00007}\text{A}\text{?}$. The analysis of a combination band such as this provides a method of obtaining ground-state spectroscopic constants of spherical-top molecules directly from the infrared spectrum, without the necessity of measuring weak “forbidden” transitions. The assignments allow accurate predictions of the frequencies emitted by the CO₂-pumped CF₄ laser.     

Quantum mechanical studies on the singlet and triplet potential energy surface of the reactions CF3O2 + I,CF3O + OI and CF3 + OIO

The singlet and triplet potential energy surfaces for the reactions CF₃O₂ + I (1), CF₃O + OI (2) and CF₃ + OIO (3) are investigated using ab initio quantum mechanical methods. Four important isomeric energy minima were found, three on the singlet surface, CF₃OOI, CF₃OIO and CF₃IO₂ and one on the triplet surface ³CF₃OIO. CF₂O + FOI are shown to be the most probable products for all reactions, CF₃O +I and CF₃O + O(³P) are possible for reactions (2) and (3) while the reaction pathway leading to CF₃O +OI is also possible for reaction (3).     

Emission from a DC glow discharge in a He/H2O mixture

The electrical and optical characteristics of a longitudinal dc glow discharge in a cylindrical discharge tube in mixtures of helium with saturated water vapor at room temperature are investigated. In the UV range, a broad band with a maximum at λ_max=309.6 nm and Δλ=9 nm prevails. The H_α 656.3-nm, H_β 486.1-nm, and HeI lines in the range 440–670 nm are the main diagnostic spectral lines. The helium partial pressure and the glow discharge current are optimized to achieve the maximum intensities of the 309.6-nm band and HeI and HI spectral lines. The results obtained are of interest for the development of an ecologically safe radiation source based on the products of the decomposition of water molecules and clusters in plasma.     

Composition of a non-self-sustained discharge plasma in an N2: O2: H2O mixture at atmospheric pressure

The plasma composition of a discharge sustained by a pulsed ionization source of μs duration is computed. It is shown that, within a time interval of ∼10⁻⁶ s after the ionization pulse, the dependences of the ion densities on the electric field and ionization source power show features that should be taken into account when developing laser systems for controlling electric discharges in long air gaps. The effect of the plasma composition on the efficiency of electron photodetachment from negative O ₂ ⁻ ions is investigated by the example of a discharge initiation system consisting of two lasers with different pulse durations and wavelengths. Plasmochemical processes under conditions of enhanced electron photodetachment from negative O ₂ ⁻ ions are simulated. It is shown that photodetachment can increase the electron density for a time of <10⁻⁵ s.     

Positron transport in CF4 and N2/CF4 mixtures

Investigations on freestanding binary and ternary clusters of Fe _x Co _y Ir _z (x + y + z = 5, 6) are carried out using ab initio density functional theory techniques. The geometry, chemical order, binding energy, magnetic moment and electronic structure of the clusters are analyzed for the entire range of composition. Composition dependent structural transition is observed in the five atom clusters, while octahedral geometry prevailed in clusters with six atoms. Both the clusters show increment in binding energy with the increase in number of heterogeneous bonds. Analysis based on the chemical order parameter indicates that clusters favor mixing rather than segregation. The clusters exhibit ferromagnetic ordering and the inter-dependence of optimal cluster geometry to the magnetic moments and electronic structure is observed.     

Electron thermal diffusion instability and standing striations in the plasma of a dc discharge in molecular gases

A linear theory of waves in the positive column of dc discharge in molecular gases is presented. Full account is taken of local electron hydrodynamics (s.c. quasi-homogeneous equations), which is derived on the basis of a local non-equilibrium distribution of the electron gas. The production term on the right-hand-side of the ion balance equation gives the familiar ionization wawes, but the ion drift enhanced by the high value of the logitudinal field strength, together with the modification of the pertubed electric field incurred by the electron thermal diffusion, causes the dispersion curve to inersect thek-axis. This provides a natural explanation of the amplified low frequency anode directed wave commonly observed in molecular gas discharges as well as of the standing striation pattern. Numerical examples are given for the case of nitrogen.     

Electrical conductivity of BaCe0.9Nd0.1O3−α in H2+H2O+Ar gas mixture

Electroconductivity of BaCe_0.9Nd_0.1O_3−α was studied as a function of the composition of the H₂+H₂O+Ar mixture and temperature in the interval from 873 to 1173 K. It was shown that the electroconductivity was independent of P_H2 (0.97 to 0.10 atm) and P_O2 (10⁻²¹ to 10⁻²⁶ atm), but depended on P_H2O (0.08 to 0.005 atm). A mathematical processing of the P_H2O dependencies of the electroconductivity, which was performed in terms of a classical model of defect formation in high-temperature proton-conducting solid electrolytes, yielded equilibrium constants of the reaction of water dissolution in BaCe_0.9Nd_0.1O_3−α and mobilities of protons and oxygen ions. The temperature dependencies of these quantities were used to determine the mobility activation energies of protons (E_a=34±7 kJ/mole) and oxygen ions (E_a=72±8 kJ/mole), and also the enthalpy (ΔH=−150±25 kJ/mole) and the entropy (ΔS=153±26 kJ/mole·K) of the reaction of water dissolution in BaCe_0.9Nd_0.1O_3−α.     

Effect of a magnetic field on the rate of etching of silicon dioxide in a CF4 + O2 plasma

A near-electrode nonuniform magnetic field crossed with an electric field is found to strongly affect the rate of etching of silicon dioxide on glass substrates in a CF₄ + O₂ plasma when the Larmor frequency (≈10⁹ s⁻¹) is much higher than the frequency of collisions of an electron with surrounding plasma particles (≈10⁶ s⁻¹) and the frequency of the applied rf electric field (≈10⁷ s⁻¹). The confinement of electrons by the magnetic field in the immediate vicinity of the substrate surface to be treated increases the rate of generation of chemically active particles, which increases the etching rate of silicon dioxide.     

An approach for unipolar corona discharge in N2/O2 gas mixture by considering townsend conditions

In this study (α/p) = f(E/p) functional relation is derived for the gas mixture of N₂/O₂ by considering Townsend approach, and formation mechanism of corona discharge is investigated for the coaxial electrode system located in this gas medium. The electron energy distribution function (EEDF) which is required for estimation of ionization coefficient, is determined by considering probability distribution function of inelastic electron collisions versus energy. An algorithm for determining ionization coefficient for binary gas mixture is presented. The development and motion of the electron avalanche in inter-electrode gap are studied by considering the effect of positive space charges. It is determined by considering the derived mathematical expressions that the formation of corona discharge is related with the variation of the current characteristics in inter-electrode gaps depending on the change of potential of central electrode.     

Conversion of nitrogen oxides in N2:O2:CO2 and N2:O2:CO2:NO2 mixtures subjected to a dc corona discharge

This paper concerns the influence of a direct current (dc) corona discharge on production and reduction of NO, NO₂ and N₂O in N₂:O₂:CO₂ and N₂:O₂:CO₂:NO₂ mixtures. The corona discharge was generated in a needle-to-plate reactor. The positively polarized electrode consisted of 7 needles. The grounded electrode was a stainless steel plate. The gas flow rate through the reactor was varied from 28 to 110 cm³/s. The time-averaged discharge current ranged from 0 to 6 mA. It was found that in the N₂:O₂:CO₂ mixture the corona discharge produced NO, NO₂ and N₂O. In the N₂:O₂:CO₂:NO₂ mixture the reduction of NO₂ was between 6–56%, depending on the concentration of O₂, gas flow rate and corona discharge current. The NO₂ reduction was accompanied by production of NO and N₂O. The results show that efficient reduction of nitrogen oxides by a corona discharge cannot be expected in the mixtures containing N₂ and O₂ if reducing additives are not employed.