Photochemistry of C3Hp hydrocarbons in Titan's stratosphere revisited

被引:68
作者
Hebrard, E. [1 ,2 ]
Dobrijevic, M. [1 ,2 ]
Loison, J. C. [3 ,4 ]
Bergeat, A. [3 ,4 ]
Hickson, K. M. [3 ,4 ]
Caralp, F. [3 ,4 ]
机构
[1] Univ Bordeaux, Lab Astrophys Bordeaux, UMR 5804, F-33270 Floirac, France
[2] CNRS, Lab Astrophys Bordeaux, UMR 5804, F-33270 Floirac, France
[3] Univ Bordeaux, Inst Sci Mol, UMR 5255, F-33400 Talence, France
[4] CNRS, Inst Sci Mol, UMR 5255, F-33400 Talence, France
基金
欧洲研究理事会;
关键词
planets and satellites: individual: Titan; planets and satellites: atmospheres; planets and satellites: composition; astrochemistry; POTENTIAL-ENERGY SURFACE; PRODUCT BRANCHING RATIOS; EVALUATED KINETIC-DATA; RESONANCE-ABSORPTION SPECTROSCOPY; ALKYL RADICAL REACTIONS; AB-INITIO CALCULATIONS; STATE ATOMIC CARBON; PHOTODISSOCIATION DYNAMICS; RATE-CONSTANT; RATE COEFFICIENTS;
D O I
10.1051/0004-6361/201220686
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
The description of C-3 hydrocarbon chemistry in current photochemical models of Titan's atmosphere is found to be far from complete. We have carefully investigated the photochemistry involving C3Hp compounds in the atmosphere of Titan (considering both photolysis and neutral reactions), which considerably impacts the abundances of many other hydrocarbon species (including C-2 compounds). Model results indicate that three species (C-3, c-C3H2 and C3H3) could be abundant enough to be present in the Cassini/INMS data. Because the error bars on predicted C-3-hydrocarbon abundances are considerably larger than those of the observational data, new experimental and theoretical studies targeting the measurement of low-temperature reaction rate constants and product branching ratios are required to reduce current model uncertainties. In particular, we highlight 30 "key reactions", the uncertainty factors of which should be lowered to improve the quality of photochemical models involving C3Hp molecules.
引用
收藏
页数:21
相关论文
共 164 条
  • [1] A QUANTITATIVE STUDY OF ALKYL RADICAL REACTIONS BY KINETIC SPECTROSCOPY .4. THE FLASH-PHOTOLYSIS OF AZOPROPANES
    ADACHI, H
    BASCO, N
    [J]. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1981, 13 (04) : 367 - 384
  • [2] Accurate ab initio computation of thermochemical data for C3Hx (x=0,...,4) species
    Aguilera-Iparraguirre, Jorge
    Boese, A. Daniel
    Klopper, Wim
    Ruscic, Branko
    [J]. CHEMICAL PHYSICS, 2008, 346 (1-3) : 56 - 68
  • [3] [Anonymous], J PHYS CHEM
  • [4] [Anonymous], KINET CATAL ENGL TRA
  • [5] [Anonymous], ICARUS
  • [6] [Anonymous], BER BUNSENGES PHYS C
  • [7] Rate coefficients for the propargyl radical self-reaction and oxygen addition reaction measured using ultraviolet cavity ring-down spectroscopy
    Atkinson, DB
    Hudgens, JW
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (21) : 4242 - 4252
  • [8] Evaluated kinetic data for combustion modeling: Supplement II
    Baulch, DL
    Bowman, CT
    Cobos, CJ
    Cox, RA
    Just, T
    Kerr, JA
    Pilling, MJ
    Stocker, D
    Troe, J
    Tsang, W
    Walker, RW
    Warnatz, J
    [J]. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2005, 34 (03) : 757 - 1397
  • [9] EVALUATED KINETIC DATA FOR COMBUSTION MODELING
    BAULCH, DL
    COBOS, CJ
    COX, RA
    ESSER, C
    FRANK, P
    JUST, T
    KERR, JA
    PILLING, MJ
    TROE, J
    WALKER, RW
    WARNATZ, J
    [J]. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1992, 21 (03) : 411 - 734
  • [10] EVALUATED KINETIC DATA FOR COMBUSTION MODELING SUPPLEMENT-I
    BAULCH, DL
    COBOS, CJ
    COX, RA
    FRANK, P
    HAYMAN, G
    JUST, T
    KERR, JA
    MURRELLS, T
    PILLING, MJ
    TROE, J
    WALKER, RW
    WARNATZ, J
    [J]. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1994, 23 (06) : 847 - 1033