Molecular dynamics simulation of coupled water and ion adsorption in the nano-pores of a realistic calcium-silicate-hydrate gel

被引：0
|
作者：
Tu, Yongming [1 ,2 ,3 ]
Yu, Qian [1 ]
Wen, Rongjia [1 ]
Shi, Pan [1 ]
Yuan, Lei [1 ]
Ji, Yuanhui [1 ]
Sas, Gabriel [3 ]
Elfgren, Lennart [3 ]
机构：
[1] School of Civil Engineering, Southeast University, Nanjing,211189, China
[2] National Engineering Research Center for Prestressing Technology, Southeast University, Nanjing,211189, China
[3] Division of Structural and Fire Engineering, Luleå University of Technology, Luleå,SE-97187, Sweden
来源：
Construction and Building Materials | 2021年 / 299卷
关键词：
Adsorption;
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] Molecular dynamics simulation of coupled water and ion adsorption in the nano-pores of a realistic calcium-silicate-hydrate gel
    Tu, Yongming
    Yu, Qian
    Wen, Rongjia
    Shi, Pan
    Yuan, Lei
    Ji, Yuanhui
    Sas, Gabriel
    Elfgren, Lennart
    CONSTRUCTION AND BUILDING MATERIALS, 2021, 299
  • [2] Chloride ions transport and adsorption in the nano-pores of silicate calcium hydrate: Experimental and molecular dynamics studies
    Zhou, Yang
    Hou, Dongshuai
    Jiang, Jinyang
    Wang, Penggang
    CONSTRUCTION AND BUILDING MATERIALS, 2016, 126 : 991 - 1001
  • [3] Nanoindentation Study of Calcium-Silicate-Hydrate Gel via Molecular Dynamics Simulations
    Yin, Hang
    Wang, Xuefeng
    Qin, Haifeng
    Wang, Shijie
    Cai, Kun
    NANOMATERIALS, 2023, 13 (18)
  • [4] Experimental and molecular dynamics studies on the transport and adsorption of chloride ions in the nano-pores of calcium silicate phase: The influence of calcium to silicate ratios
    Zhou, Yang
    Hou, Dongshuai
    Jiang, Jinyang
    Liu, Lin
    She, Wei
    Yu, Jiao
    MICROPOROUS AND MESOPOROUS MATERIALS, 2018, 255 : 23 - 35
  • [5] Molecular Dynamics Simulation of Calcium-Silicate-Hydrate for Nano-Engineered Cement Composites-A Review
    Cho, Byoung Hooi
    Chung, Wonseok
    Nam, Boo Hyun
    NANOMATERIALS, 2020, 10 (11) : 1 - 25
  • [6] The nano-branched structure of cementitious calcium-silicate-hydrate gel
    Dolado, Jorge S.
    Griebel, Michael
    Hamaekers, Jan
    Heber, Frederik
    JOURNAL OF MATERIALS CHEMISTRY, 2011, 21 (12) : 4445 - 4449
  • [7] Adsorption mechanisms of cesium at calcium-silicate-hydrate surfaces using molecular dynamics simulations
    Bu, J.
    Teresa, R. Gonzalez
    Brown, K. G.
    Sanchez, F.
    JOURNAL OF NUCLEAR MATERIALS, 2019, 515 : 35 - 51
  • [8] Comparison of computational water models for simulation of calcium-silicate-hydrate
    Ji, Qing
    Pellenq, Roland J. -M.
    Van Vliet, Krystyn J.
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 53 (01) : 234 - 240
  • [9] MOLECULAR DYNAMICS ANALYSIS OF WATER ADSORPTION ON CALCIUM SILICATE HYDRATE
    Dong, Jiahui
    Wang, Yang
    Yang, Yi
    Gao, Rui
    CERAMICS-SILIKATY, 2021, 65 (01) : 90 - 97
  • [10] Molecular simulation of calcium-silicate-hydrate and its applications: A comprehensive review
    Luo, Qi
    Xiang, Yangsheng
    Yang, Qingrui
    Liang, Te
    Xie, Yiping
    CONSTRUCTION AND BUILDING MATERIALS, 2023, 409
12345