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Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibriums

Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn LU and Nilsson, Lars-Olof LU (2011) In Materials and Structures 44(9). p.1577-1592
Abstract
In this study, a coupled multi-species

transport and chemical equilibrium model has been

established. The model is capable of predicting time

dependent variation of pore solution and solid-phase

composition in concrete. Multi-species transport

approaches, based on the Poisson–Nernst–Planck

(PNP) theory alone, not involving chemical processes,

have no real practical interest since the chemical action

is very dominant for cement based materials. Coupled

mass transport and chemical equilibrium models can

be used to calculate the variation in pore solution and

solid-phase composition when using different types of

cements. For example,... (More)
In this study, a coupled multi-species

transport and chemical equilibrium model has been

established. The model is capable of predicting time

dependent variation of pore solution and solid-phase

composition in concrete. Multi-species transport

approaches, based on the Poisson–Nernst–Planck

(PNP) theory alone, not involving chemical processes,

have no real practical interest since the chemical action

is very dominant for cement based materials. Coupled

mass transport and chemical equilibrium models can

be used to calculate the variation in pore solution and

solid-phase composition when using different types of

cements. For example, the physicochemical evaluation

of steel corrosion initiation can be studied by

calculating the molar ratio of chloride ion to hydroxide

ion in the pore solution. The model can, further, for

example, calculate changes of solid-phase composition

caused by the penetration of seawater into the

concrete cover. The mass transport part of the model is

solved using a non-linear finite element approach

adopting a modified Newton–Raphson technique for

minimizing the residual error at each time step of the

calculation. The chemical equilibrium part of the

problem is solved by using the PHREEQC program.

The coupling between the transport part and chemical

part of the problem is tackled by using a sequential

operator splitting technique and the calculation results

are verified by comparing the elemental spacial

distribution in concrete measured by the electron

probe microanalysis (EPMA). (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Mass transport, Multi-species, Thermodynamic phase equilibrium, PHREEQC, [Cl-]/[OH-]
in
Materials and Structures
volume
44
issue
9
pages
1577 - 1592
publisher
Springer
external identifiers
  • wos:000296369800003
  • scopus:80054769442
ISSN
1359-5997
DOI
10.1617/s11527-011-9720-2
language
English
LU publication?
yes
id
f15f54d7-f087-4ec8-b525-a7c40186ccea (old id 2146315)
date added to LUP
2011-08-30 08:27:32
date last changed
2017-08-27 03:44:23
@article{f15f54d7-f087-4ec8-b525-a7c40186ccea,
  abstract     = {In this study, a coupled multi-species<br/><br>
transport and chemical equilibrium model has been<br/><br>
established. The model is capable of predicting time<br/><br>
dependent variation of pore solution and solid-phase<br/><br>
composition in concrete. Multi-species transport<br/><br>
approaches, based on the Poisson–Nernst–Planck<br/><br>
(PNP) theory alone, not involving chemical processes,<br/><br>
have no real practical interest since the chemical action<br/><br>
is very dominant for cement based materials. Coupled<br/><br>
mass transport and chemical equilibrium models can<br/><br>
be used to calculate the variation in pore solution and<br/><br>
solid-phase composition when using different types of<br/><br>
cements. For example, the physicochemical evaluation<br/><br>
of steel corrosion initiation can be studied by<br/><br>
calculating the molar ratio of chloride ion to hydroxide<br/><br>
ion in the pore solution. The model can, further, for<br/><br>
example, calculate changes of solid-phase composition<br/><br>
caused by the penetration of seawater into the<br/><br>
concrete cover. The mass transport part of the model is<br/><br>
solved using a non-linear finite element approach<br/><br>
adopting a modified Newton–Raphson technique for<br/><br>
minimizing the residual error at each time step of the<br/><br>
calculation. The chemical equilibrium part of the<br/><br>
problem is solved by using the PHREEQC program.<br/><br>
The coupling between the transport part and chemical<br/><br>
part of the problem is tackled by using a sequential<br/><br>
operator splitting technique and the calculation results<br/><br>
are verified by comparing the elemental spacial<br/><br>
distribution in concrete measured by the electron<br/><br>
probe microanalysis (EPMA).},
  author       = {Hosokawa, Yoshifumi and Yamada, Kazuo and Johannesson, Björn and Nilsson, Lars-Olof},
  issn         = {1359-5997},
  keyword      = {Mass transport,Multi-species,Thermodynamic phase equilibrium,PHREEQC,[Cl-]/[OH-]},
  language     = {eng},
  number       = {9},
  pages        = {1577--1592},
  publisher    = {Springer},
  series       = {Materials and Structures},
  title        = {Development of a multi-species mass transport model for concrete with account to thermodynamic phase equilibriums},
  url          = {http://dx.doi.org/10.1617/s11527-011-9720-2},
  volume       = {44},
  year         = {2011},
}