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Theoretical study of theT+D2andD+T2collisions in low-temperature hydrogen plasmas
Physical Review A ( IF 2.6 ) Pub Date : 2020-07-09 , DOI: 10.1103/physreva.102.012806
François Lique

The study of low-temperature hydrogen plasmas is relevant for many technological plasma applications. The theoretical investigation of elementary processes, especially those involving H, D, and T species, is crucial for the modeling of nonequilibrium plasma systems such as those found in fusion plasmas. We report fully quantum time-independent calculations of rate coefficients for the vibrationally inelastic and reactive collisions of T with D2(v=0) and of D with T2(v=0). Our calculations are based on the H3 global potential-energy surface of Mielke et al. [S. L. Mielke et al., J. Chem. Phys. 116, 4142 (2002)]. We obtain state-to-state rate coefficients for the formation of DT through T+D2 and D+T2 reactions and for the vibrational excitation of D2 by T and of T2 by D for temperatures up to 2500 K. The results are compared to existing ones for other hydrogen isotopes and significant differences are found between the different sets of results, confirming that specific data have to be obtained for all the collisional systems of interest of hydrogen plasmas. We expect that this data will allow a more accurate modeling of hydrogen plasmas of interest for technological applications.

中文翻译:

低温氢等离子体中T + D2和D + T2碰撞的理论研究

低温氢等离子体的研究与许多技术等离子体应用相关。基本过程的理论研究,尤其是涉及H,D和T物种的过程,对于建模非平衡等离子体系统(例如在聚变等离子体中发现的等离子体系统)至关重要。我们报告了T的振动非弹性和反应性碰撞的速率系数的完全量子时间无关的计算d2v=0 和D与 Ť2v=0。我们的计算基于H3Mielke等人的全球势能面[SL Mielke等。J。化学式 物理 116,4142(2002)]。我们通过以下方法获得形成DT的状态速率系数Ť+d2d+Ť2 反应和振动激发 d2 由T和 Ť2用D方法对温度高达2500 K的温度进行比较。将结果与其他氢同位素的现有结果进行比较,发现不同结果集之间存在显着差异,从而确认必须针对所有感兴趣的氢等离子体碰撞系统获得特定数据。我们希望该数据将允许对技术应用感兴趣的氢等离子体进行更准确的建模。
更新日期:2020-07-09
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