An experimental and theoretical study of adsorption of aromatic alcohols and amines on graphitized thermal carbon black

被引：0
|
作者：
V. V. Varfolomeeva
A. V. Terent’ev
机构：
[1] Korolev Samara State Aerospace University,
来源：
Protection of Metals and Physical Chemistry of Surfaces | 2014年 / 50卷
关键词：
Force Field; Torsion Angle; Intermolecular Hydrogen Bond; Benzylamine; Stable Conformer;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The Henry constants have been calculated for nonrigid molecules of benzyl alcohol, 1-phenylethanol, benzylamine, and 1-phenylethylamine on graphitized thermal carbon black (GTCB). It has been shown that remarkable changes in geometry for stable conformers in the adsorbed state depend on the height of the barrier to internal rotation around the labile bond and the presence of an intermolecular hydrogen bond. The parameters of atom-atom potential (AAP) characterizing the intermolecular hydrogen bond of the OH-group with π-electrons of GTCB with the assumption of direction have been determined. The experimental values of the Henry constant have been compared with the results of a molecular statistical calculation for the aromatic alcohols and amines being studied on GTCB.
引用
收藏
页码：715 / 722
页数：7
相关论文
共 50 条
  • [1] An experimental and theoretical study of adsorption of aromatic alcohols and amines on graphitized thermal carbon black
    Varfolomeeva, V. V.
    Terent'ev, A. V.
    PROTECTION OF METALS AND PHYSICAL CHEMISTRY OF SURFACES, 2014, 50 (06) : 715 - 722
  • [2] Adsorption of cyclic amines on graphitized thermal carbon black
    E. A. Yashkina
    D. A. Svetlov
    S. N. Yashkin
    Russian Chemical Bulletin, 2012, 61 : 1536 - 1545
  • [3] Adsorption of cyclic amines on graphitized thermal carbon black
    Yashkina, E. A.
    Svetlov, D. A.
    Yashkin, S. N.
    RUSSIAN CHEMICAL BULLETIN, 2012, 61 (08) : 1536 - 1545
  • [4] Experimental and molecular statistical study of alkyladamantane adsorption on graphitized thermal carbon black
    Yashkin, S. N.
    Svetlov, D. A.
    Novoselova, O. V.
    Yashkina, E. A.
    RUSSIAN CHEMICAL BULLETIN, 2008, 57 (12) : 2472 - 2482
  • [5] Experimental and molecular statistical study of alkyladamantane adsorption on graphitized thermal carbon black
    S. N. Yashkin
    D. A. Svetlov
    O. V. Novoselova
    E. A. Yashkina
    Russian Chemical Bulletin, 2008, 57 : 2472 - 2482
  • [6] Effects of Temperature on Adsorption of Methanol on Graphitized Thermal Carbon Black: A Computer Simulation and Experimental Study
    Nguyen, Van T.
    Do, D. D.
    Nicholson, D.
    Jagiello, J.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (32): : 16142 - 16149
  • [7] Comparison of experimental and theoretical entropies for esters adsorbed on graphitized thermal carbon black
    Kalashnikova, EV
    Lopatkin, AA
    Makogon, AM
    MENDELEEV COMMUNICATIONS, 1997, (03) : 121 - 122
  • [8] Adsorption of adamantanol isomers on graphitized thermal carbon black
    Yashkin, SN
    Kurbatova, SV
    Petrova, EI
    Buryak, AK
    RUSSIAN CHEMICAL BULLETIN, 2001, 50 (05) : 823 - 827
  • [9] Adsorption of adamantanol isomers on graphitized thermal carbon black
    S. N. Yashkin
    S. V. Kurbatova
    E. I. Petrova
    A. K. Buryak
    Russian Chemical Bulletin, 2001, 50 : 823 - 827
  • [10] MOLECULAR-STATISTICAL CALCULATIONS OF HENRYS CONSTANTS FOR THE ADSORPTION OF AROMATIC-AMINES ON GRAPHITIZED CARBON-BLACK
    BOBYLEVA, MS
    DEMENTIEVA, LA
    KISELEV, AV
    KULIKOV, NS
    DOKLADY AKADEMII NAUK SSSR, 1985, 283 (06): : 1390 - 1393
12345