Scattering of N2 Molecules from Silica Surfaces: Effect of Polymorph and Surface Temperature

被引:4
|
作者
Rutigliano, Maria [1 ]
Pirani, Fernando [2 ,3 ]
机构
[1] CNR, ISTP Ist Sci Tecnol Plasmi, Via Amendola 122-D, I-70126 Bari, Italy
[2] Univ Perugia, Dipartimento Chim Biol & Biotecnol, Via Elce Sotto 8, I-06123 Perugia, Italy
[3] Univ Perugia, Dipartimento Ingn Civile & Ambientale, Via G Duranti 93, I-06125 Perugia, Italy
来源
MOLECULES | 2022年 / 27卷 / 21期
关键词
molecular dynamics simulations; long-range interactions; potential energy surface; surface processes; roto-vibrational distributions; reaction mechanism; INELASTIC ROTATIONAL SCATTERING; NITROGEN ADSORPTION; DYNAMICS; RECOMBINATION; SELECTIVITY; SIMULATION; OXYGEN; METHANE; MODELS;
D O I
10.3390/molecules27217445
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The inelastic scattering of N-2 molecules from silica surfaces, taken at 100 K, has been investigated by adopting a semiclassical collision model in conjunction with the appropriate treatment of the long-range interaction forces. Such forces promote the formation of the precursor state that controls all basic elementary processes occurring at the gas-surface interphase. The probabilities for the different elementary surface processes triggered by quartz are determined and compared with those recently obtained for another silica polymorph (cristobalite). In addition, the final roto-vibrational distributions of N-2 molecules undergoing inelastic scattering have been characterized. N-2 molecules, impinging on both considered surfaces in low-medium vibrational states, preserve the initial vibrational state, while those inelastically scattered are rotationally excited and translationally colder. The surface temperature effect, investigated by raising the temperature itself from 100 K up to 1000 K, emerges more sharply for the cristobalite polymorph, mainly for the molecules impinging in the ground roto-vibrational state and with low collision energies.
引用
收藏
页数:19
相关论文
共 50 条
  • [1] Scattering of CO and N2 molecules by a graphite surface
    Oh, Junepyo
    Kondo, Takahiro
    Arakawa, Keitaro
    Saito, Yoshihiko
    Nakamura, Junji
    Hayes, W. W.
    Manson, J. R.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2012, 24 (35)
  • [2] Calculations of scattering of N2 molecules from Ru(0001)
    Ambaye, Hailemariam
    Manson, J. R.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (17):
  • [3] The internal energy distribution of NO and N2 scattering from defective surfaces
    Pierro, William
    Castejon, Henry J.
    SURFACE SCIENCE, 2008, 602 (22) : 3515 - 3522
  • [4] Surface temperature dependence of the inelastic scattering of hydrogen molecules from metal surfaces
    Wang, ZS
    Darling, GR
    Holloway, S
    PHYSICAL REVIEW LETTERS, 2001, 87 (22) : 226102 - 226102
  • [5] Interactions of fast N2 molecules with palladium surfaces
    Universitaet Osnabrueck, Osnabrueck, Germany
    Surf Sci, (195-200):
  • [6] Accurate Compton scattering measurements for N2 molecules
    Kobayashi, Kohjiro
    Itou, Masayoshi
    Hosoya, Tetsuo
    Tsuji, Naruki
    Sakurai, Yoshiharu
    Sakurai, Hiroshi
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2011, 44 (11)
  • [7] EIGENPHASE SUMS FOR SCATTERING OF ELECTRONS BY N2 MOLECULES
    CREES, MA
    MOORES, DL
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1977, 10 (06) : L225 - L227
  • [8] OBSERVATION OF RAMAN-SCATTERING FROM N2 IN A SILICA OPTICAL FIBER
    STONE, J
    CHRAPLYVY, AR
    BURRUS, CA
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 1984, 69 (01) : 145 - 147
  • [9] Raman scattering from vibrationally exited N2 and O2 molecules
    Buldakov, MA
    Korolev, BV
    Matrosov, II
    SIXTH INTERNATIONAL SYMPOSIUM ON ATMOSPHERIC AND OCEAN OPTICS, 1999, 3983 : 534 - 537
  • [10] CALCULATIONS FOR THE SCATTERING OF N2 AT A AG SURFACE
    BRUNNER, T
    BRENIG, W
    SURFACE SCIENCE, 1992, 261 (1-3) : 284 - 298