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仲氢中的非弹性碰撞:低温和低能量下的转动态到转动态速率系数及截面

Inelastic collisions in para-H2: translation-rotation state-to-state rate coefficients and cross sections at low temperature and energy.

作者信息

Maté B, Thibault F, Tejeda G, Fernández J M, Montero S

机构信息

Instituto de Estructura de la Materia, CSIC Serrano 121, 28006 Madrid, Spain.

出版信息

J Chem Phys. 2005 Feb 8;122(6):064313. doi: 10.1063/1.1850464.

Abstract

We report an experimental determination of the k(00-->02) rate coefficient for inelastic H(2):H(2) collisions in the temperature range from 2 to 110 K based on Raman spectroscopy data in supersonic expansions of para-H(2). For this purpose a more accurate method for inverting the master equation of rotational populations is presented. The procedure permits us to reduce the measured k(00-->02) rate coefficient to the corresponding sigma(00-->02) cross section in the range of precollisional energy from 360 to 600 cm(-1). Numerical calculations of sigma(00-->02) carried out in the frame of the coupled channel method are also reported for different intermolecular potentials of H(2). A good agreement is found between the experimental cross section and the numerical one derived from Diep and Johnson's potential [J. Chem. Phys. 112, 4465 (2000)].

摘要

我们基于仲氢(para-H₂)在超声速膨胀中的拉曼光谱数据,报告了在2至110K温度范围内,非弹性H₂:H₂碰撞的k(00→02)速率系数的实验测定结果。为此,提出了一种更精确的反转转动布居主方程的方法。该程序使我们能够将测量的k(00→02)速率系数换算为预碰撞能量在360至600cm⁻¹范围内相应的σ(00→02)截面。还报告了在耦合通道方法框架下,针对不同H₂分子间势进行的σ(00→02)数值计算。实验截面与从Diep和Johnson势[《化学物理杂志》112, 4465 (2000)]导出的数值截面之间发现了良好的一致性。

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