Effective diffusivity of cement pastes from virtual microstructures: Role of gel porosity and capillary pore percolation

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Effective diffusivity of cement pastes from virtual microstructures: Role of gel porosity and capillary pore percolation. / Patel, Ravi; Perko, Janez; Jacques, Diederik; De Schutter, G.; Ye, G.; Van Breugel, Klaas.

In: Construction and Building Materials, Vol. 165, 20.03.2018, p. 833-845.

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Patel, Ravi ; Perko, Janez ; Jacques, Diederik ; De Schutter, G. ; Ye, G. ; Van Breugel, Klaas. / Effective diffusivity of cement pastes from virtual microstructures: Role of gel porosity and capillary pore percolation. In: Construction and Building Materials. 2018 ; Vol. 165. pp. 833-845.

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@article{8d8d80429fa94c989f0809dd65d13bd1,
title = "Effective diffusivity of cement pastes from virtual microstructures: Role of gel porosity and capillary pore percolation",
abstract = "The role of capillary pores percolation and gel pores are investigated to explain the underlying differences between relative diffusivity obtained from different experimental techniques using microstructures generated from two different types of hydration model viz., CEMHYD3D (a voxel based approach) and HYMOSTRUC (a vector based approach). These models provide microstructures with different capillary pore connectivity for the same degree of hydration and the same porosity due to the underlying assumptions. In order to account for a C-S-H diffusivity at the micro-scale, a continuum micro-mechanics based model has been proposed. These simulations show that deperolation of capillary pores at around 20{\%} of capillary porosity is essential in order to correctly predict diffusivity of cement paste with water-cement ratio by mass (w/c) in between 0.4 and 0.5. Furthermore from our analysis we present a viable postulate that the higher diffusivity measured by electric resistivity compared to other methods is due to differences in contribution from gel pores. For electrical resistivity measurement it is proposed that all gel pores are diffusive whereas for ion and tracer transport it is proposed that only nitrogen accessible gel pores are diffusive.",
keywords = "microstructure modelling, diffusivity, transport properties, cement paste",
author = "Ravi Patel and Janez Perko and Diederik Jacques and {De Schutter}, G. and G. Ye and {Van Breugel}, Klaas",
note = "Score=10",
year = "2018",
month = "3",
day = "20",
doi = "10.1016/j.conbuildmat.2018.01.010",
language = "English",
volume = "165",
pages = "833--845",
journal = "Construction and Building Materials",
issn = "0950-0618",
publisher = "Elsevier",

}

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TY - JOUR

T1 - Effective diffusivity of cement pastes from virtual microstructures: Role of gel porosity and capillary pore percolation

AU - Patel, Ravi

AU - Perko, Janez

AU - Jacques, Diederik

AU - De Schutter, G.

AU - Ye, G.

AU - Van Breugel, Klaas

N1 - Score=10

PY - 2018/3/20

Y1 - 2018/3/20

N2 - The role of capillary pores percolation and gel pores are investigated to explain the underlying differences between relative diffusivity obtained from different experimental techniques using microstructures generated from two different types of hydration model viz., CEMHYD3D (a voxel based approach) and HYMOSTRUC (a vector based approach). These models provide microstructures with different capillary pore connectivity for the same degree of hydration and the same porosity due to the underlying assumptions. In order to account for a C-S-H diffusivity at the micro-scale, a continuum micro-mechanics based model has been proposed. These simulations show that deperolation of capillary pores at around 20% of capillary porosity is essential in order to correctly predict diffusivity of cement paste with water-cement ratio by mass (w/c) in between 0.4 and 0.5. Furthermore from our analysis we present a viable postulate that the higher diffusivity measured by electric resistivity compared to other methods is due to differences in contribution from gel pores. For electrical resistivity measurement it is proposed that all gel pores are diffusive whereas for ion and tracer transport it is proposed that only nitrogen accessible gel pores are diffusive.

AB - The role of capillary pores percolation and gel pores are investigated to explain the underlying differences between relative diffusivity obtained from different experimental techniques using microstructures generated from two different types of hydration model viz., CEMHYD3D (a voxel based approach) and HYMOSTRUC (a vector based approach). These models provide microstructures with different capillary pore connectivity for the same degree of hydration and the same porosity due to the underlying assumptions. In order to account for a C-S-H diffusivity at the micro-scale, a continuum micro-mechanics based model has been proposed. These simulations show that deperolation of capillary pores at around 20% of capillary porosity is essential in order to correctly predict diffusivity of cement paste with water-cement ratio by mass (w/c) in between 0.4 and 0.5. Furthermore from our analysis we present a viable postulate that the higher diffusivity measured by electric resistivity compared to other methods is due to differences in contribution from gel pores. For electrical resistivity measurement it is proposed that all gel pores are diffusive whereas for ion and tracer transport it is proposed that only nitrogen accessible gel pores are diffusive.

KW - microstructure modelling

KW - diffusivity

KW - transport properties

KW - cement paste

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/29505933

U2 - 10.1016/j.conbuildmat.2018.01.010

DO - 10.1016/j.conbuildmat.2018.01.010

M3 - Article

VL - 165

SP - 833

EP - 845

JO - Construction and Building Materials

JF - Construction and Building Materials

SN - 0950-0618

ER -

ID: 4135018