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Lattice Boltzmann simulation of the ionic diffusivity of cement paste

M Zhang, Guang Ye UGent and K van Breugel (2011) RILEM Proceedings. PRO 79. p.1-9
abstract
The lattice Boltzmann (LB) method is an efficient numerical approach which is widely utilized in the modeling of mass transport in porous media within a few decades because of the easy implementation of complex boundary conditions, inherent parallelism and high numerical stability of this approach. This paper presents the simulation of the effective ionic diffusivity of cement paste using the LB method. The entire simulation consists of three main steps. Firstly, the three-dimensional (3D) microstructure of hydrating cement paste is developed by the cement hydration model HYMOSTRUC3D. Cement paste is modeled as a composite material consisting of capillary pores, un-hydrated cement particles and hydration products (inner-, outer-, contact-). Secondly, the obtained 3D microstructure is digitized into a 3D array of voxels at a certain identical resolution (voxel size). Each voxel is assigned to be pore or solid depending on the position of its center. Finally, the diffusion process driven by the concentration difference between inlet and outlet is simulated using LB model. The operations such as collision and streaming are running until the steady-state diffusion condition is achieved. On the basis of the calculated steady-state molar flux across the whole domain, the effective ionic diffusivity can be estimated. Taking the diffusion of chloride ions for example, the simulated effective chloride diffusivities of cement paste are compared with the experimental results presented in literature. The simulation shows a good agreement with the experimental results. In addition, the influence of resolution on the simulated effective chloride diffusivity is studied.
Please use this url to cite or link to this publication:
author
organization
year
type
conference
publication status
published
subject
in
RILEM Proceedings
RILEM Proc.
editor
Christopher Leung and KT Wan
volume
PRO 79
issue title
International RILEM conference on advances in construction materials through science and engineering
pages
1 - 9
publisher
RILEM Publications
place of publication
Bagneux, France
conference name
International RILEM Conference on Advances in Construction Materials Through Science and Engineering
conference location
Hong Kong, China
conference start
2011-09-05
conference end
2011-09-07
ISSN
1461-1147
ISBN
9782351581162
language
English
UGent publication?
yes
classification
C1
copyright statement
I have transferred the copyright for this publication to the publisher
id
2696647
handle
http://hdl.handle.net/1854/LU-2696647
date created
2012-06-18 14:12:12
date last changed
2012-06-19 14:08:26
@inproceedings{2696647,
  abstract     = {The lattice Boltzmann (LB) method is an efficient numerical approach which is widely utilized in the modeling of mass transport in porous media within a few decades because of the easy implementation of complex boundary conditions, inherent parallelism and high numerical stability of this approach. This paper presents the simulation of the effective ionic diffusivity of cement paste using the LB method. The entire simulation consists of three main steps. Firstly, the three-dimensional (3D) microstructure of hydrating cement paste is developed by the cement hydration model HYMOSTRUC3D. Cement paste is modeled as a composite material consisting of capillary pores, un-hydrated cement particles and hydration products (inner-, outer-, contact-). Secondly, the obtained 3D microstructure is digitized into a 3D array of voxels at a certain identical resolution (voxel size). Each voxel is assigned to be pore or solid depending on the position of its center. Finally, the diffusion process driven by the concentration difference between inlet and outlet is simulated using LB model. The operations such as collision and streaming are running until the steady-state diffusion condition is achieved. On the basis of the calculated steady-state molar flux across the whole domain, the effective ionic diffusivity can be estimated. Taking the diffusion of chloride ions for example, the simulated effective chloride diffusivities of cement paste are compared with the experimental results presented in literature. The simulation shows a good agreement with the experimental results. In addition, the influence of resolution on the simulated effective chloride diffusivity is studied.},
  author       = {Zhang, M and Ye, Guang and van Breugel, K},
  booktitle    = {RILEM Proceedings},
  editor       = {Leung, Christopher and Wan, KT},
  isbn         = {9782351581162},
  issn         = {1461-1147},
  language     = {eng},
  location     = {Hong Kong, China},
  pages        = {1--9},
  publisher    = {RILEM Publications},
  title        = {Lattice Boltzmann simulation of the ionic diffusivity of cement paste},
  volume       = {PRO 79},
  year         = {2011},
}

Chicago
Zhang, M, Guang Ye, and K van Breugel. 2011. “Lattice Boltzmann Simulation of the Ionic Diffusivity of Cement Paste.” In RILEM Proceedings, ed. Christopher Leung and KT Wan, PRO 79:1–9. Bagneux, France: RILEM Publications.
APA
Zhang, M, Ye, G., & van Breugel, K. (2011). Lattice Boltzmann simulation of the ionic diffusivity of cement paste. In Christopher Leung & K. Wan (Eds.), RILEM Proceedings (Vol. PRO 79, pp. 1–9). Presented at the International RILEM Conference on Advances in Construction Materials Through Science and Engineering, Bagneux, France: RILEM Publications.
Vancouver
1.
Zhang M, Ye G, van Breugel K. Lattice Boltzmann simulation of the ionic diffusivity of cement paste. In: Leung C, Wan K, editors. RILEM Proceedings. Bagneux, France: RILEM Publications; 2011. p. 1–9.
MLA
Zhang, M, Guang Ye, and K van Breugel. “Lattice Boltzmann Simulation of the Ionic Diffusivity of Cement Paste.” RILEM Proceedings. Ed. Christopher Leung & KT Wan. PRO 79. Bagneux, France: RILEM Publications, 2011. 1–9. Print.