Collision-Induced Absorption by H2 Pairs: From Hundreds to Thousands of Kelvin

被引:137
作者
Abel, Martin [1 ]
Frommhold, Lothar [1 ]
Li, Xiaoping [2 ]
Hunt, Katharine L. C. [2 ]
机构
[1] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA
[2] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA
基金
美国国家科学基金会;
关键词
2ND OVERTONE BAND; FAR-INFRARED ABSORPTION; MODEL ATMOSPHERES; GASEOUS-HYDROGEN; FUNDAMENTAL-BAND; MOLECULAR-HYDROGEN; H-2-H-2; PAIRS; H2; SPECTRA; COOL;
D O I
10.1021/jp109441f
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
An interaction-induced dipole surface (IDS) and a potential energy surface (PES) of collisionally interacting molecular hydrogen pairs H-2-H-2 was recently obtained using quantum chemical methods (Li, X.; et al. Computational Methods in Science and Engineering, ICCMSE. AIP Conf. Proc. 2009,; see also Li, X.; et al. Int. J. Spectrosc. 2010, ID 371201). The data account for substantial rotovibrational excitations of the H-2 molecules, as encountered at temperatures of thousands of kelvin (e.g., in the atmospheres of "cool" stars). In this work we use these results to compute the binary collision-induced absorption (CIA) spectra of dense hydrogen gas in the infrared at temperatures up to several thousand kelvin. The principal interest of the work is in the spectra at such higher temperatures, but we also compare our computations with existing laboratory measurements of CIA spectra of dense hydrogen gas and find agreement.
引用
收藏
页码:6805 / 6812
页数:8
相关论文
共 64 条
[51]   LOW-TEMPERATURE 2ND VIRIAL-COEFFICIENTS OF PARA-H-2 GAS OBTAINED FROM QUANTUM-MECHANICAL PAIR CORRELATION-FUNCTIONS [J].
SCHAEFER, J ;
KOHLER, WE .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1989, 13 (03) :217-229
[52]   QUANTUM CALCULATIONS OF ROTATIONAL AND NMR RELAXATION, DEPOLARIZED RAYLEIGH AND ROTATIONAL RAMAN LINE-SHAPES FOR H-2(HD)-HE MIXTURES [J].
SCHAEFER, J ;
KOHLER, WE .
PHYSICA A, 1985, 129 (03) :469-502
[53]   MASSES, RADII, AND MODEL ATMOSPHERES FOR COOL WHITE-DWARF STARS [J].
SHIPMAN, HL .
ASTROPHYSICAL JOURNAL, 1977, 213 (01) :138-144
[54]  
TABISZ GC, 1995, NATO ASI C, V452
[55]  
Trafton L. M., 1998, MOL COMPLEXES EARTHS, P177
[56]   THERMAL OPACITY IN MAJOR PLANETS [J].
TRAFTON, LM .
ASTROPHYSICAL JOURNAL, 1964, 140 (03) :1340-&
[57]  
VANKRANENDONK J, 1968, CAN J PHYS, V46, P1173
[58]  
Vigasin A.A., 1998, Molecular Complexes in the Earth's, Planetary, Cometary and Interstellar Atmospheres
[60]  
WATANABE A, 1964, THESIS U TORONTO