The High Temperature Vibrational Partition Function of Stretching of Triatomic Systems

被引:2
|
作者
Buchowiecki, Marcin [1 ]
机构
[1] Univ Szczecin, Inst Phys, Wielkopolska 15, PL-70451 Szczecin, Poland
关键词
High temperatures; Vibrational partition function; Bend-stretch separation; Ideal gas; Carbon dioxide; DISSOCIATION; STATE; MODEL;
D O I
10.1007/s11090-020-10075-1
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The statistical thermodynamic model for the vibrational partition function with separated stretching and bending is developed. The model is studied on the example of CO2molecule for temperature up to 20,000 K with the aim to describe efficient dissociation by deposition of energy mainly to the stretching modes of vibration. The observed separation of bending mode at lower temperatures suggest that it is possible to construct such kinetic model of plasma in which the high vibrational temperature of stretching and the low vibrational temperature of bending are obtained resulting in an efficient dissociation. In particular, the proposed model is extended to ideal-gas version where all the interactions between atoms are taken into account. The idea behind such approach is to eliminate contributions to partition functions stemming from non-interacting dissociated fragments of the molecule. The application areas of such partition functions are discussed and the full vibrational partition functions based on that model are compared with the known data.
引用
收藏
页码:1081 / 1089
页数:9
相关论文
共 50 条
  • [21] High-Temperature and Nonequilibrium Partition Function and Thermodynamic Data of Diatomic Molecules
    Babou, Y.
    Riviere, Ph.
    Perrin, M-Y.
    Soufiani, A.
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2009, 30 (02) : 416 - 438
  • [22] High-Temperature and Nonequilibrium Partition Function and Thermodynamic Data of Diatomic Molecules
    Y. Babou
    Ph. Rivière
    M.-Y. Perrin
    A. Soufiani
    International Journal of Thermophysics, 2009, 30 : 416 - 438
  • [23] Vibrational and rotational bound states in floppy triatomic systems:: The distributed Gaussian functions approach
    Baccarelli, I.
    Gianturco, F. A.
    Gonzalez-Lezana, T.
    Delgado-Barrio, G.
    Miret-Artes, S.
    Villarreal, P.
    PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2007, 452 (01): : 1 - 32
  • [24] MASS DEPENDENCE FROM STATISTICAL-ANALYSIS OF STRETCHING VIBRATIONAL LEVELS - APPLICATION TO THE LINEAR TRIATOMIC MOLECULE CS2
    PICHIERRI, F
    BOTINA, J
    RAHMAN, N
    CHEMICAL PHYSICS LETTERS, 1995, 236 (06) : 543 - 546
  • [25] ON THE EFFECT OF CENTRIFUGAL STRETCHING ON THE ROTATIONAL PARTITION-FUNCTION OF AN ASYMMETRIC-TOP
    MARTIN, JML
    FRANCOIS, JP
    GIJBELS, R
    JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (11): : 8374 - 8389
  • [26] ON THE DENSITY OF PARTITION-FUNCTION TEMPERATURE ZEROS
    STEPHENSON, J
    JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1987, 20 (13): : 4513 - 4519
  • [27] Quantum vibrational partition function in the non-extensive Tsallis framework
    Keshavarzi, Ezat
    Sabzehzari, Mozhgan
    Ellasi, Mehdi
    PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2010, 389 (14) : 2733 - 2738
  • [28] Temperature and vibrational distribution function in high-pressure diatomic gas mixture
    Lou, Guofeng
    Lempert, Walter R.
    Adamovich, Igor V.
    Rich, William J.
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2009, 42 (05)
  • [29] Methane high-temperature partition function from contact transformations and variational calculations
    Nikitin, A. V.
    Krishna, B. M.
    Rey, M.
    Tashkun, S. A.
    Tyuterev, V. I. G.
    JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2015, 167 : 53 - 63
  • [30] The partition sum of methane at high temperature
    Wenger, Ch.
    Champion, J. P.
    Boudon, V.
    JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2008, 109 (16): : 2697 - 2706