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
  • [31] Structure and dynamics of citrate ions in Mg/Al layered double hydroxide:: 13C NMR and molecular dynamics simulation studies
    Li, Q
    Kumar, PP
    Babu, PK
    Kalinichev, AG
    Kirkpatrick, RJ
    GEOCHIMICA ET COSMOCHIMICA ACTA, 2005, 69 (10) : A816 - A816
  • [32] Short-time Fourier transform analysis of ab initio molecular dynamics simulation:: Collision reaction between NH4+(NH3)2 and NH3
    Yamauchi, Y
    Nakai, H
    Okada, Y
    JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (22): : 11098 - 11103
  • [33] H/D isotope effect on the dihydrogen bond of NH4+•••BeH2 by ab initio path integral molecular dynamics simulation
    Hayashi, Aiko
    Shiga, Motoyuki
    Tachikawa, Masanori
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (20):
  • [34] Unveiling the enhanced reactivity of NO ozonation on NH4-SAPO-34 4-SAPO-34 zeolite: Ab initio molecular dynamics combined with experimental characteristics
    Liu, Bing
    Li, Shikun
    Dai, Wenchen
    Liu, Fengyu
    Qin, Wenli
    Wang, Min
    Jia, Yang
    Ma, Zengling
    CHEMICAL ENGINEERING SCIENCE, 2024, 300
  • [35] Mechanisms of 1,4-Dioxane Biodegradation and Adsorption by Bio-Zeolite in the Presence of Chlorinated Solvents: Experimental and Molecular Dynamics Simulation Studies
    Liu, Yun
    Johnson, Nicholas W.
    Liu, Cun
    Chen, Ruihuan
    Zhong, Ming
    Dong, Yuanhua
    Mahendra, Shaily
    ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2019, 53 (24) : 14538 - 14547
  • [36] Separation of CH4/N2 gas mixture using MFI zeolite nanosheet: Insights from molecular dynamics simulation
    Azizi, Bayan
    Vessally, Esmail
    Ahmadi, Sheida
    Ebadi, Abdol Ghaffar
    Azamat, Jafar
    COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 641
  • [37] Binding of NMe4+ and NH4+ ammonium ions by a bridged calix[6]arene in chloroforn. A molecular dynamics investigation (vol 93, pg 376, 1998)
    Fraternali, F
    Wipff, G
    ANALES DE QUIMICA-INTERNATIONAL EDITION, 1998, 94 (01): : 26 - 26
  • [38] Local structure of NH4Cl solution and its correlation with osmotic coefficient by molecular dynamics simulation and Raman spectroscopy
    Meng, Xianze
    Zhuang, Xinming
    Fu, Yunpeng
    Yuan, Junsheng
    Li, Shenyu
    Chen, Shuai
    VIBRATIONAL SPECTROSCOPY, 2020, 111
  • [39] Exploring the interplay of adsorption and diffusion for separation of CO2/CH4 in zeolite-like metal-organic frameworks by a molecular dynamics simulation
    He, P.
    Liu, H.
    Li, Y.
    Huang, S.
    Zhu, J.
    Tian, H.
    PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART L-JOURNAL OF MATERIALS-DESIGN AND APPLICATIONS, 2011, 225 (L4) : 288 - 297
  • [40] Efficient adsorption of ofloxacin in a novel nanocomposite formed by nano-hexagonal boron nitride fused with zeolite imidazolite skeleton-8: Experimental and molecular dynamics simulation studies
    Huang, Zefang
    Hong, Yuankai
    Cui, Yiqun
    Guo, Huiying
    Long, Yan
    Ye, Jinshao
    ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2025, 290