Salting coefficients for gases in seawater from scaled-particle theory

Experimental values of the salting coefficients for He, Ne, Ar, O₂, and N₂ in seawater are compared with values calculated from scaled-particle theory. The agreement is reasonably good; the average difference between calculated and observed values at 25°C is 0.007. Scaled-particle theory predicts correctly thatk _s should decrease as the temperature increases and that this effect should be most pronounced at low temperatures. However, the predicted magnitude ofdK _s/dt is only about half of that observed.     

Formation of Negative Hydrogen Ions in a Ne–H2 Hollow Cathode Discharge

The formation of negative hydrogen ions in a conventional hollow cathode discharge has been investigated. A mixture of Ne and H₂ proved to be more advantageous compared to pure hydrogen. The study has been performed by solving the electron Boltzmann equation, coupled with a system of balance equations for neon and hydrogen neutral and charged particles. The vibrational distribution function of hydrogen has been calculated. Our calculations show unusually high population of vibrationally excited hydrogen molecules in a Ne–H₂ mixture, which explains the high density of negative hydrogen ions under optimal conditions (total gas pressure of few Torr, hydrogen number mole fraction of 1–10% and discharge current of 10–100 mA). Line intensities originating from highly excited neon states vs. hydrogen pressure have been calculated and a comparison with existing experimental results has been made.     

An Investigation of the Positive Column of a Cd–Ne Glow Discharge: II. Afterglow

The afterglow of a Cd–Ne glow discharge is investigated theoretically and experimentally. The time-dependent electron Boltzmann equation and the balance equations for the Cd excited states and charged particles have been self-consistently solved. The temporal relaxation of the electron energy distribution function, electron, and cadmium excited states densities is reported and the influence of neon and cadmium vapor pressure on the plasma characteristics in the afterglow is studied. The modeling compares favorably with experimental results.     

Ab initio potential energy curve for the neon atom pair and thermophysical properties of the dilute neon gas. I. Neon–neon interatomic potential and rovibrational spectra

A neon–neon interatomic potential energy curve was derived from quantum-mechanical ab initio calculations using basis sets of up to t-aug-cc-pV6Z quality supplemented with bond functions and ab initio methods up to CCSDT(Q). In addition, corrections for relativistic effects were determined. An analytical potential function was fitted to the ab initio values and utilised to calculate the rovibrational spectra. The quality of the interatomic potential function was tested by comparison of the calculated spectra with experimental ones and those derived from other potentials of the literature. In a following paper the new interatomic potential is applied in the framework of the quantum-statistical mechanics and of the corresponding kinetic theory to determine selected thermophysical properties of neon governed by two-body and three-body interactions.     

Neon‐Bearing Ammonium Metal Formates: Formation and Behaviour under Pressure

The incorporation of noble gas atoms, in particular neon, into the pores of network structures is very challenging due to the weak interactions they experience with the network solid. Using high‐pressure single‐crystal X‐ray diffraction, we demonstrate that neon atoms enter into the extended network of ammonium metal formates, thus forming compounds Ne_x[NH₄][M(HCOO)₃]. This phenomenon modifies the compressional and structural behaviours of the ammonium metal formates under pressure. The neon atoms can be clearly localised within the centre of [M(HCOO)₃]₅ cages and the total saturation of this site is achieved after ～1.5 GPa. We find that by using argon as the pressure‐transmitting medium, the inclusion inside [NH₄][M(HCOO)₃] is inhibited due to the larger size of the argon. This study illustrates the size selectivity of [NH₄][M(HCOO)₃] compounds between neon and argon insertion under pressure, and the effect of inclusion on the high‐pressure behaviour of neon‐bearing ammonium metal formates.     

硼原子掺杂对碳纳米管吸附Ne原子影响的第一性原理计算

采用基于第一性原理的密度泛函理论（DFT）和局域密度近似（LDA）方法,优化计算得到碳纳米管（CNT）,硼原子取代碳原子及其吸附氖原子前后系统的几何结构,能量,电子能带和态密度。结果显示,碳纳米管的能带结构与石墨的层状几何结构相似,能量的变化只在kz=0和kz=0.5平面之间沿着c轴方向出现。B原子取代C原子使价带和导带分别分裂为两个和三个能带。对Ne原子的吸附使价带能量沿着c轴方向升高并导致Fermi面附近的态密度下降。Ne原子的吸附在谷位H最稳定,顶位A其次。C-C间σ键的弯曲使Ne原子吸附在桥位b1比桥位b2处更为稳定。Ne原子在管外的吸附均为放热过程,而管内则为吸热过程。结构分析表明Ne原子对C原子有排斥作用,对B原子却具有吸引作用。B原子取代C原子的位置略凸出于CNT的管壁之外,使Ne原子的吸附能增加。     

硼原子掺杂对碳纳米管吸附Ne原子影响的第一性原理计算

采用基于第一性原理的密度泛函理论(DFT)和局域密度近似(LDA)方法,优化计算得到碳纳米管(CNT),硼原子取代碳原子及其吸附氖原子前后系统的几何结构,能量,电子能带和态密度.结果显示,碳纳米管的能带结构与石墨的层状几何结构相似,能量的变化只在kz=0和kz=0.5平面之间沿着c轴方向出现.B原子取代C原子使价带和导带分别分裂为两个和三个能带.对Ne原子的吸附使价带能量沿着c轴方向升高并导致Fermi面附近的态密度下降.Ne原子的吸附在谷位H最稳定,顶位A其次.C-C间σ键的弯曲使Ne原子吸附在桥位b1比桥位b2处更为稳定.Ne原子在管外的吸附均为放热过程,而管内则为吸热过程.结构分析表明Ne原子对C原子有排斥作用,对B原子却具有吸引作用.B原子取代C原子的位置略凸出于CNT的管壁之外,使Ne原子的吸附能增加.     

“碰撞-辐射”模型在Z箍缩等离子体K壳层线辐射谱分析中的应用

介绍了由K壳层谱线强度比估算等离子体状态参数的\"碰撞-辐射\"模型的基本原理.详细描述了自行研制的基于该模型的Z箍缩等离子体K壳层线辐射谱分析程序——ZSPEC的基本情况.给出了氖等离子体的计算结果,包括不同电离态离子的相对含量随电子温度的变化曲线和K壳层谱线强度比在\"电子密度-电子温度\"平面内的等高线分布图.该程序已在\"阳\"加速器Z箍缩实验结果分析中得到应用,将椭圆晶体谱仪测得的氖等离子体K壳层谱线强度比与ZSPEC程序计算结果相比较,得出在该发实验关键词：碰撞-辐射模型K壳层线辐射谱')\" href=\"#\">K壳层线辐射谱氖气喷气Z箍缩阳加速器     

大气压氖气介质阻挡放电脉冲等离子射流特性

采用自行研制的低造价、小体积、可产生幅值0~35 kV、重复频率1 kHz的高压s脉冲电源,设计了一套以大气压氖气为工作气体的介质阻挡放电（DBD）等离子体射流源,通过测量并计算放电过程中的电压-电流波形、拍摄放电图像、光谱分析等手段,对电压幅值、气体流速对氖气等离子体射流特性的影响进行了研究。结果表明:s脉冲电源激励下大气压氖气DBD能产生锥状的等离子射流且其等离子强度适中;s脉冲电源电压幅值的快速上升,可在放电空间瞬间施加高的过电压,能有效促进放电功率、电子密度、电子激发温度和射流长度的增加;工作气体流速的增加使得放电功率、电子激发温度和电子密度减小,而射流长度变化很小;一定条件下,能形成长距离的射流。