A versatile pore-scale multicomponent reactive transport approach based on lattice Boltzmann method: Application to portlandite dissolution

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A versatile pore-scale multicomponent reactive transport approach based on lattice Boltzmann method: Application to portlandite dissolution. / Patel, Ravi; Perko, Janez; Jacques, Diederik; De Schutter, Geert; Van Breugel, Klaas; ye, Guang.

In: Physics and Chemistry of the Earth, Vol. 70-71, 06.2014, p. 127-137.

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Patel, Ravi ; Perko, Janez ; Jacques, Diederik ; De Schutter, Geert ; Van Breugel, Klaas ; ye, Guang. / A versatile pore-scale multicomponent reactive transport approach based on lattice Boltzmann method: Application to portlandite dissolution. In: Physics and Chemistry of the Earth. 2014 ; Vol. 70-71. pp. 127-137.

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@article{a1659b607eaa4335ae2a0b7aaa8b2559,
title = "A versatile pore-scale multicomponent reactive transport approach based on lattice Boltzmann method: Application to portlandite dissolution",
abstract = "Cement is one of the important construction materials in waste disposal system and changes in properties of due to interaction of surrounding environment which results in dissolution/precipitation of certain mineral phases in hardened cement paste is key concern in performance assessment of these structures. As opposed to the existing approaches focusing mostly on microstructural changes occurring during hydration of concrete, here an approach based on Lattice Boltzmann method is proposed to model the evolution of microstructure of hardened cement paste under geochemical interaction with aggressive pore water. Lattice Boltzmann method is used to solve multicomponent mass transport in complex pore geometry. This mass transport solver is further coupled with PHREEQC to solve geochemical reactions through operator-splitting approach which enables the applicability of developed approach to varieties of geochemical systems such as one of cement paste. Further geometry update rules are defined to model dissolution/precipitation of solid mineral phases. Finally, some benchmarks are shown to demonstrate working of developed approach. The developed model can be used to evaluate changes in HCP microstructure under the influence of aggressive pore water resulting in carbonation or calcium leaching.",
keywords = "concrete, Lattice-boltzmann method, reactive transport, microstructural modelling",
author = "Ravi Patel and Janez Perko and Diederik Jacques and {De Schutter}, Geert and {Van Breugel}, Klaas and Guang ye",
note = "Score = 10; 3rd International Workshop Mechanisms and modelling of waste/cement interactions ; Conference date: 06-05-2013 Through 08-05-2013",
year = "2014",
month = jun,
doi = "10.1016/j.pce.2014.03.001",
language = "English",
volume = "70-71",
pages = "127--137",
journal = "Physics and Chemistry of the Earth",
issn = "1474-7065",
publisher = "Elsevier",

}

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TY - JOUR

T1 - A versatile pore-scale multicomponent reactive transport approach based on lattice Boltzmann method: Application to portlandite dissolution

AU - Patel, Ravi

AU - Perko, Janez

AU - Jacques, Diederik

AU - De Schutter, Geert

AU - Van Breugel, Klaas

AU - ye, Guang

N1 - Score = 10

PY - 2014/6

Y1 - 2014/6

N2 - Cement is one of the important construction materials in waste disposal system and changes in properties of due to interaction of surrounding environment which results in dissolution/precipitation of certain mineral phases in hardened cement paste is key concern in performance assessment of these structures. As opposed to the existing approaches focusing mostly on microstructural changes occurring during hydration of concrete, here an approach based on Lattice Boltzmann method is proposed to model the evolution of microstructure of hardened cement paste under geochemical interaction with aggressive pore water. Lattice Boltzmann method is used to solve multicomponent mass transport in complex pore geometry. This mass transport solver is further coupled with PHREEQC to solve geochemical reactions through operator-splitting approach which enables the applicability of developed approach to varieties of geochemical systems such as one of cement paste. Further geometry update rules are defined to model dissolution/precipitation of solid mineral phases. Finally, some benchmarks are shown to demonstrate working of developed approach. The developed model can be used to evaluate changes in HCP microstructure under the influence of aggressive pore water resulting in carbonation or calcium leaching.

AB - Cement is one of the important construction materials in waste disposal system and changes in properties of due to interaction of surrounding environment which results in dissolution/precipitation of certain mineral phases in hardened cement paste is key concern in performance assessment of these structures. As opposed to the existing approaches focusing mostly on microstructural changes occurring during hydration of concrete, here an approach based on Lattice Boltzmann method is proposed to model the evolution of microstructure of hardened cement paste under geochemical interaction with aggressive pore water. Lattice Boltzmann method is used to solve multicomponent mass transport in complex pore geometry. This mass transport solver is further coupled with PHREEQC to solve geochemical reactions through operator-splitting approach which enables the applicability of developed approach to varieties of geochemical systems such as one of cement paste. Further geometry update rules are defined to model dissolution/precipitation of solid mineral phases. Finally, some benchmarks are shown to demonstrate working of developed approach. The developed model can be used to evaluate changes in HCP microstructure under the influence of aggressive pore water resulting in carbonation or calcium leaching.

KW - concrete

KW - Lattice-boltzmann method

KW - reactive transport

KW - microstructural modelling

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_135569

UR - http://knowledgecentre.sckcen.be/so2/bibref/11556

U2 - 10.1016/j.pce.2014.03.001

DO - 10.1016/j.pce.2014.03.001

M3 - Article

VL - 70-71

SP - 127

EP - 137

JO - Physics and Chemistry of the Earth

JF - Physics and Chemistry of the Earth

SN - 1474-7065

T2 - 3rd International Workshop Mechanisms and modelling of waste/cement interactions

Y2 - 6 May 2013 through 8 May 2013

ER -

ID: 188018