Molecular Dynamics Simulation Studies of Zeolite-A. IV. Structure and Dynamics of NH4+ ions in a Rigid Dehydrated Zeolite-A

被引:0
|
作者
机构
来源
Sulf Lett | / 5卷 / 113期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 45 条
  • [21] Molecular Dynamics Simulation of K+/NH4+ Ion-exchange Processes in Clinoptilolite
    Yuan, Junsheng
    Chen, Jing
    Ye, Haibin
    Li, Shenyu
    FUNDAMENTAL OF CHEMICAL ENGINEERING, PTS 1-3, 2011, 233-235 : 2898 - 2903
  • [22] Molecular dynamics simulation of NH4-montmorillonite interlayer hydration: Structure, energetics, and dynamics
    Peng, Chenliang
    Wang, Guanshi
    Qin, Lei
    Luo, Sihai
    Min, Fanfei
    Zhu, Xia
    APPLIED CLAY SCIENCE, 2020, 195
  • [23] Structure and dynamics of cumene and 1,2,4-trimethylbenzene mixture in NaY zeolite: a molecular dynamics simulation study
    Varanasi, Srinivasa Rao
    Yashonath, S.
    MOLECULAR SIMULATION, 2015, 41 (5-6) : 423 - 431
  • [24] Dissociative recombination of NH4+ and ND4+ ions:: Storage ring experiments and ab initio molecular dynamics
    Öjekull, J
    Andersson, PU
    Någård, MB
    Pettersson, JBC
    Derkatch, AM
    Neau, A
    Rosén, S
    Thomas, R
    Larsson, M
    Österdahl, F
    Semaniak, J
    Danared, H
    Källberg, A
    af Ugglas, M
    Markovic, N
    JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (16): : 7391 - 7399
  • [25] Molecular dynamics simulation study of NH4+ and NH2− in liquid ammonia: interaction potentials, structural and dynamical properties
    Tanakorn Wonglakhon
    Dirk Zahn
    Journal of Molecular Modeling, 2022, 28
  • [26] Molecular dynamics simulation study of NH4+ and NH2- in liquid ammonia: interaction potentials, structural and dynamical properties
    Wonglakhon, Tanakorn
    Zahn, Dirk
    JOURNAL OF MOLECULAR MODELING, 2022, 28 (05)
  • [27] Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study
    O'Malley, A. J.
    Sarwar, M.
    Armstrong, J.
    Catlow, C. R. A.
    Silverwood, I. P.
    York, A. P. E.
    Hitchcock, I.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (17) : 11976 - 11986
  • [28] Binding of NMe4+ and NH4+ ammonium ions by a bridged calix[6]arene in chloroform.: A molecular dynamics investigation
    Fraternali, F
    Wipff, G
    ANALES DE QUIMICA-INTERNATIONAL EDITION, 1997, 93 (06): : 376 - 384
  • [29] Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+•••BeH2
    Hayashi, A
    Shiga, M
    Tachikawa, M
    CHEMICAL PHYSICS LETTERS, 2005, 410 (1-3) : 54 - 58
  • [30] Solvation structure and dynamics of ammonium (NH4+) in liquid ammonia studied by HF/MM and B3LYP/MM molecular dynamics simulations
    Tongraar, Anan
    Hannongbua, Supot
    JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (03): : 885 - 891