Transport property of hydrogen sulfide in amorphous polyethylene using grand canonical Monte Carlo and molecular dynamics simulations

被引:0
|
作者
Huang, Hao [1 ]
Liu, Bing [1 ]
Zheng, Dukui [1 ]
Xin, Fubin [1 ]
Shi, Xian [2 ]
机构
[1] College of Petroleum Engineering, Yangtze University, Wuhan,430100, China
[2] College of Petroleum Engineering, China University of Petroleum (East China), Qingdao,266580, China
关键词
34;
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 50 条
  • [1] Transport property of hydrogen sulfide in amorphous polyethylene using grand canonical Monte Carlo and molecular dynamics simulations
    Huang, Hao
    Liu, Bing
    Zheng, Dukui
    Xin, Fubin
    Shi, Xian
    FUEL, 2024, 360
  • [2] Computational Study of Metal-Organic Frameworks for Hydrogen Sulfide Adsorption: Grand Canonical Monte Carlo and Molecular Dynamics Simulations
    Meng, Junqing
    Zhou, Zihan
    Wang, Jie
    Liang, Xin
    Fu, Hao
    Zhan, Yunting
    Nie, Baisheng
    CHEMISTRYSELECT, 2023, 8 (32):
  • [3] Grand Canonical Monte Carlo simulations of hydrogen adsorption on aluminophosphate molecular sieves
    Song, Mee Kyung
    No, Kyoung Tai
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2009, 34 (05) : 2325 - 2328
  • [4] Realistic simulations of Au(100): Grand canonical Monte Carlo and molecular dynamics
    Passerone, D
    Ercolessi, F
    Celestini, F
    Tosatti, E
    SURFACE REVIEW AND LETTERS, 1999, 6 (05) : 663 - 668
  • [5] Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulations
    Deng, Yuqing
    Roux, Benoit
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (11):
  • [6] Analyses of adsorption capacity of hydrogen in MOFs using grand canonical Monte Carlo simulations
    Jung, Dong Hyun
    Kim, Daejin
    Lee, Tae Bum
    Kim, Jaheon
    Choi, Seung-Hoon
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 359 - 359
  • [7] Grand canonical Monte Carlo simulations of hydrogen adsorption in carbon aerogels
    Pang, Hao-Qiang
    Li, Shen
    Li, Zeng-Yao
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 46 (70) : 34807 - 34821
  • [8] Grand canonical Monte Carlo simulations of hydrogen adsorption in carbon cones
    Gotzias, A.
    Heiberg-Andersen, H.
    Kainourgiakis, M.
    Steriotis, Th.
    APPLIED SURFACE SCIENCE, 2010, 256 (17) : 5226 - 5231
  • [9] Molecular simulations of confined liquids: An alternative to the grand canonical Monte Carlo simulations
    Ghoufi, Aziz
    Morineau, Denis
    Lefort, Ronan
    Hureau, Ivanne
    Hennous, Leila
    Zhu, Haochen
    Szymczyk, Anthony
    Malfreyt, Patrice
    Maurin, Guillaume
    JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (07):
  • [10] Grand canonical Monte Carlo simulations for the prediction of adsorption capacity of hydrogen in MOFs
    Jung, Dong Hyun
    Kim, Daejin
    Lee, Tae Bum
    Kim, Jaheon
    Choi, Seung-Hoon
    ADVANCES IN NANOMATERIALS AND PROCESSING, PTS 1 AND 2, 2007, 124-126 : 1693 - +