Ar+与Ne低能碰撞的弹性截面和Ar+离子在气体Ar/Ne混合物中输运的Monte Carlo模拟

J. Barata, C. Conde
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引用次数: 0

摘要

用蒙特卡罗模拟计算了在大气压下,当Ar浓度在1 ~ 20%之间时,氩气/氖混合物中Ar+离子的漂移速度和纵向和横向扩散系数,以及在293 K下电场强度E/N从1到100 Td,对应于E/p从0.329到32.9 V cm−1 Torr−1。蒙特卡罗模拟使用了一组Ar+离子与中性Ar和Ne原子的积分和微分弹性碰撞截面。利用改进的Tang和Toennies离子-原子相互作用势模型描述了ArNe+分子离子的从头算光谱数据和远程相互作用势,计算了Ar+离子与中性Ne原子的微分和积分弹性碰撞截面,并报道了质心能量在1 meV和10 eV之间。用JWKB近似计算相移。所使用的Ar+离子与Ar原子碰撞的横截面是作者之前计算的。
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Elastic cross-sections for low energy collision of Ar+ with Ne and Monte Carlo simulation of the transport of Ar+ ions in gaseous Ar/Ne mixtures
The drift velocities and the longitudinal and transverse diffusion coefficients for Ar+ ions in gaseous Ar/Ne mixtures, at atmospheric pressures, for Ar concentrations between 1 and 20%, and reduced electric field strengths, E/N, from 1 to 100 Td, corresponding to E/p, from about 0.329 to 32.9 V cm−1 Torr−1 at 293 K, are calculated by Monte Carlo simulation. The Monte Carlo simulations use a set of integral and differential elastic collision cross-sections for Ar+ ions with neutral Ar and Ne atoms. Differential and integral elastic collision cross-sections for Ar+ ions with neutral Ne atoms are calculated, and reported for center-of-mass energies between 1 meV and 10 eV, using a modified Tang and Toennies ion-atom interaction potential model to describe ab initio spectroscopic data for the ArNe+ molecular ion and the long-range interaction potentials. The phase shifts were calculated with the JWKB approximation. The cross-sections for the collision of Ar+ ions with Ar atoms used were the ones calculated before by the authors.
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