113 views

Uploaded by 林中右

COMSOL Multiphysics Modeling of Chloride Binding in Diffusive Transport of
Chlorides in Concrete

- surface chemistry Resonance note
- Surface Chemistry Theory_E
- Comsol
- COMSOL_ReleaseNotes.pdf
- references.docx
- assAs
- Worktext in Differential Equations
- A First Course in Elementary Differential Equations
- Rasmuson a., Andersson B., Olsson L., Andersson R.-mathematical Modeling in Chemical Engineering-CUP (2014)
- TPD Lecture
- Balance, Kinetics, Isotherm and Thermodynamic Modeling of Adsorption of Reactive Yellow 107on to Balsamodendroncaudatum Wood Squander Activated Carbon Material
- jurnal
- MEOR Mechanism
- Chapter 2 Adsorption
- 12C_GRP1_FINAL PAPER.pdf
- CTEP Published
- Hydrogen peroxide modification enhances the ability of biochar (hydrochar) produced from hydrothermal carbonization of peanut hull to remove aqueous heavy metals-Batch and column tests.pdf
- Luthy, 1997
- 191781 ID Pemanfaatan Daun Nanas Ananas Comosus Se
- Mautner2016 Article PhosphorylatedNanocellulosePap

You are on page 1of 5

Chlorides in Concrete

M.A. Shazali1, W.A. Al-Kutti2, M.K. Rahman3, A.H. Al-Gadhib2, M.H. Baluch2

1

INCO Precast Engineering, Industrial Contractors Co. Ltd., Al-Khobar, Saudi Arabia

Department of Civil Engineering, King Fahd Univ. of Petroleum & Minerals, Saudi Arabia

3

Research Institute, King Fahd Univ. of Petroleum & Minerals, Saudi Arabia

Abstract

chlorides ingress in concrete under field service conditions

is often ignored for formulation and analytical difficulty

reasons. Underlying effort of this paper is therefore to

demonstrate the use of COMSOL Multiphysics Software

[2], an interactive 3D-partial differential equation

development and simulation environment previously

known as FEMLAB, in effectively solving the diffusive

transport of chloride in concrete. In this regard, treatment

of the time-to-corrosion initiation problem is decisively

done in a manner averse to unrealistic assumptions of

constant diffusivity associated with null binding often

enforced for solution expediency.

durability loss in concrete structures is premature time-tocorrosion ignition due to chloride induced corrosion

associated with diffusive transport of chloride in concrete.

To permit a more realistic modeling of the diffusive

transport of chloride in concrete, chloride binding capacity

model based on experimental isotherm describing the

relation between total, bound, and free chlorides have to be

considered. The aim of this work is to demonstrate the

capability of using COMSOL Multiphysics modeling to

provide insight regarding a more realistic consideration of

chloride penetration behavior in concrete in view of

chloride binding. Simulations of the problem in COMSOL

allow main process of the chloride binding to be closely

captured in the light of its nonlinear concentration

dependence and influence on evolution of chloride

diffusivity governing the transport problem. Good

agreement of the model results with experimental data was

established to provide a basis for reasonable service life

prediction in view of the time-to-corrosion initiation

paradigm.

Keywords: COMSOL, multiphysics, modeling, concrete,

durability, chloride, diffusion, binding, corrosion.

Mohammed A. Shazali, PhD

Senior Structural Engineer, INCO Precast Division

P.O. Box 437 Al-Khobar 31952, Kingdom of Saudi Arabia

E-mail: mashazali@yahoo.com

Introduction

service life or durability of concrete infrastructures in the

field has continued to be substantial worldwide. For

chloride exposures, the forecast to the service life loss

problem is closely related to ascertaining the corrosion

initiation time of the steel reinforcement in concrete. In

accordance with conceptual steel corrosion sequence model

advocated by Tuutti [1], the durability capacity of the

concrete structure is significantly limited to the corrosion

initiation time that is very much dependent on diffusive

transport of chloride in concrete.

external chloride penetration into concrete considering

influence of physical diffusion and chemical binding of

chloride transported in to concrete. Considering onedimensional space problem, the transport problem of

chlorides can be modeled according to the following form

of Ficks second law equation.

( .S .C f )

C a

= Dce

t

x

x

(1)

concrete, Cf if the free chloride concentration in kg/m3 pore

solution, Dce is the effective diffusivity in m2/s, is the

volumetric void fraction or the capillary porosity in m3

literature are observed to focus on pure physical diffusion

process of the problem, the role of binding mechanisms for

1

COMSOL Multiphysics User's Conference 2009, January 12-13, Dhahran, Saudi Arabia

saturation in the foregoing voids in the concrete. From here

onwards the quantity S is dropped for taking a unit value in

the case of chloride diffusing through saturated voids

considered in this study.

binder component of the concrete substrate. According to

the anion exchange hypothesis, the formation of the Friedel

salt (Fr) in which unreacted aluminates react with the

intruding free chloride ions (Cl-) in the presence of

portlandite (calcium hydroxide, CH) can be represented as

follows.

(Ca = Cf) the solution to Equation (1) for semi infinite

concrete with initial and boundary condition set to

Cf(x,0)=0 and Cf(0,t)=Cs respectively is given by

x

C f ( x, t ) = C s 1 Erf

4

D

t

ce

2Cl

CH +10 H 2O

+ C 3 A

C 3 A.CaCl 2 .10 H 2 O + 2OH

(4)

Freundlich, and Langmuir-Freundlich types are commonly

employed to characterize binding behavior of this nature,

independent of the chloride transport. It is further assumed

in this paper that both the C3A and C4AF aluminates

content of the cement paste portion of the concrete

substrate contribute equally in reacting with the free

chloride ions (Cl-), and thus both equally serve as reactants

for the reaction product formation.

(2)

chloride transport problem is more complex because

whereas the chloride diffusivity is not constant, the role of

chloride binding is significant owing to adsorption affinity

of cementitious material to chlorides. Based on model

proposed by Bazant [3], Saetta et al. [4, 5], and adopted

elsewhere [6], a chloride diffusivity parameter Dc can be

defined using a multivariate law characterized by use of

empirical functions predicating the influence of parameters

embraced in the following form:

Dc = Dco .F Tc , H c , Bc , d c = Dco .Fct .Fch .Fcb .Fcd

which the chloride concentration in the pore phases (Cf) is

in steady state equilibrium with the chloride concentration

on the concrete adsorbent (Cb) can be expressed with the

following algebraic expression:

(3)

Cb =

influence functions arising from effects of temperature (T),

humidity (h), binding (b) and chemical damage (d)

respectively on diffusivity of free chloride in concrete. For

isothermal and saturated moisture conditions, only the

effect of binding on chloride diffusivity (Fcb) needs to be

considered together with the Fcd influence which however

remains to be the focus of ongoing further studies. The

diffusivity parameter Dco, represents the effective

diffusivity quantity obtained at reference or unit influence

function conditions. The Fcb influence function calls for an

additional formulation to account for the rate of formation

of bound chlorides in a form of algebraic equation

governing conservation of the binding equilibrium process.

This requires experimental identification of chloride

binding isotherm relevant to the cementitious constituent of

the concrete.

C f

1 + C f

(5)

kg/ m3 of concrete and the parameters and are

empirical binding constants that vary according to the

concrete binder composition. The relationship between the

total (Ca), bound (Cb), and free (Cf) chloride contents in

concrete can be expressed as:

C a = C f + Cb

(6)

modified to express Ca in Cf terms to become:

C f

t

( .S .C f )

Dc

x

x

(7)

function Fcb drawn on Equations (3), (6) and (7), can then

be expressed as:

Many investigators have reported about the chloride

binding affinity of cementitious materials and its

dependence on various concrete mix-proportioning

parameters [7-9]. The studies have adequately highlighted

the importance of proper binding representation and hence

its direct impact on the reliability of conclusions drawn

from results of simulation involving chloride transport

problems in concrete. In terms of reaction mechanism, the

main form of chloride binding is generally reported as a

reaction with the aluminate and iron phases to produce

calcium chloro-aluminate of the Friedel Salt type. The

aluminate and iron phases are essentially those of

tricalcium

aluminate

(C3A)

and

tetra-calcium

Fcb =

+ (C b / C f )

(8)

which from Equation (5) is given by

C b

=

C f (1 + C f

(9)

becomes:

2

COMSOL Multiphysics User's Conference 2009, January 12-13, Dhahran, Saudi Arabia

Fcb =

+ / (1 + C f )2

(10)

Equation (7), augmented by Equations (3) and (10), is

solved for Cf. The problem is non-linear for which

analytical solution is complicated to evaluate because of the

high nonlinearity involved. Analytical treatment of the

augmented formulation requires solution that depends upon

integrals of Bessel functions or inverse Laplace transforms.

Appropriate COMSOL Multiphysics procedures were

accordingly drawn and implemented to seamlessly achieve

the required solution for Cf and hence that of Cb as well as

Ca accordingly.

2.

Navigator] > [Settings] tab > [Unit system:] section.

3.

[Space dimension] drop down list.

4.

[COMSOL Mutiphysics] > [Convection and Diffusion]

> [Diffusion] > [Transient analysis]. And click [OK] to

display the COMSOL Multiphysics top window.

5.

(space) 50" in the [Coordinates] > [x:] edit field. Click

[OK].

6.

[Global] tab, specify 0.5 in the [Maximum element

size] edit field. Click [Remesh] > [OK] to have the

mesh have 100 elements.

7.

to adjust the coordinate system to the size of the line.

8.

dialog box enter the following Name-Expression pairs:

Study Problem

To assess the predictive capability of deploying COMSOL

Multiphysics to model diffusive transport of chlorides in

view of the chloride binding, chloride concentration profile

with measured chloride binding data reported by Sergi et al.

[10] was simulated as a case study problem. Available

information and known parameter values for the measured

chloride profiles include the use of OPC cement based

paste samples made at water to cement ratio (w/c) equal to

0.5 by weight. The paste samples were submitted to

external chlorides concentration of 1M NaCl for and an

exposure period of a total of 100 days. The samples were

tested for their chlorides concentration profiles, over a

penetration or cover depth of 50mm, and chloride binding

analysis to accord with Langmuir relation at =1.67 mL/g

and = 4.08L/mol. Base on best fit of the COMSOL model

with the experimental data, a chloride diffusivity (Dco)

associated with the given Langmuir binding constant is

found here to equal 1.85 mm2/day. The saturated porosity

value was not reported but is commensurately taken here to

equal 0.31 considering the w/c information given for the

test sample.

Name

eta

alpha

beta

Cs

Ci

Dco

9.

Expression

0.31

1.67

4.08

1

0

1.85

Expressions], in the [Subdomain Expressions] dialog

box, with [Subdomains] tab > [Subdomain selection] at

1, enter the following Name-Expression pairs:

Name

dbdf

Fcb

Expression

alpha/(1+beta*c)^2

1/(1 + dbdf/eta)

following equation is displayed:

Problem in COMSOL

Based on the governing differential-algebraic equations,

Equations (7) and (9), modeling the chloride transport and

chloride binding problem involves three unknown

variables, namely Cf, Cb, and Ca, but with only Cf seen to

be independent prime mover to the problem formulation.

When Equation (3) defining the dependency of the

diffusivity coefficient on the binding parameters (, ) and

the free chlorides (Cf) are included in Equation (7), the

resulting governing equation involved becomes strongly

nonlinear and difficult to solve. In this regard, recourse to

numerical solution technique offered by COMSOL

Multiphysics has been sought and adopted to completely

cope with complexity and nonlinearity of the onedimensional problem in a pragmatic manner.

ts

c

+ .( Dc) = R

t

(11)

concentration, D is the diffusion coefficient, and R is a

reaction rate. Make this equation to match up with

Equation (7).

11. Under the [c] tab from the [Subdomain Settings], with

[Subdomains] tab > [Subdomain selection] at 1, enter

the corresponding parameters:

Parameter

ts

D

R

COMSOL according to the following key modeling steps:

1. Start COMSOL Multiphysics to display the [Model

Navigator] startup window.

Value/Expression

1

Dco*Fcb

0

with [Subdomains] tab > [Subdomain selection] at 1,

3

COMSOL Multiphysics User's Conference 2009, January 12-13, Dhahran, Saudi Arabia

condition c(x, t=to=0) = Ci as follows:

Parameter

C(to)

free, bound and total components is shown in Figure (4),

normalized to same unit of measurement for comparison

purposes.

Value

Ci

[Boundary Settings] dialog box , with [Boundaries] tab

> [Boundary selection] at 1, enter the corresponding

parameters for the boundary condition c(x=0, t) = Cs

as follows:

Parameter

C0

Value/Expression

Cs

insulated flux condition; Assert this by selecting

"Insulation/Symmetry" with [Boundaries] tab >

[Boundary selection] at 2. [Apply] > [OK].

15. Under the [Solve] > [Solver Parameters] > [General]

tab, enter "0:0.1:100" in the [Times:] edit field. [OK].

16. Under the [Postprocessing] > [Plot Parameters] >

[general] tab, select "100" in the [solution at time:]

drop down list.

[OK] to obtain the plot of the concentration displayed

in the drawing area of the COMSOL screen.

1.0

Time = 100 days :

Sergi et al. [10]

0.8

content, [mol/L]

Parameters] > select "stored output times" from the

[select via:] drop down list.

19. In the [Solution to use] section, choose "100" and click

[Apply] to obtain plot of the concentration displayed in

a separate window for the chosen time, t=100 days.

COMSOL model

Analytical Eq.(2)

0.6

0.4

0.2

0.0

0

10

15

20

25

30

35

40

45

depth [mm]

above provides the plot of the concentration, c, displayed in

a separate [Figure] window. Thereafter the plot was

formatted further to obtain the style of the one shown as

Figure (2). This figure thus represents COMSOL solution

of the free chlorides concentration, Cf, to the problem.

Comparison of the COMSOL solution with the

experimental data to the modeled problem as reported by

Sergi et al. [10] is shown in Figure (3). The good

agreement observed between the measured and predicted

results in the figure suggests the ability of the COMSOL

thus far to predict experimentally observed behavior.

by use of Equation (2) under constant diffusivity

assumption. In this case the solution obtained with

stationary Dc = Dco value could not reflect the nonlinearity

evidently accruable from the associated binding behavior

and concentration dependence. The implication of the

mismatch between the experimental and the analytical

results in this regard is seen to be quite significant. It

inadvertently exposes the inherent inaccuracy associated

with the constant diffusivity assumption underlying validity

of such analytical equations.

50

COMSOL Multiphysics User's Conference 2009, January 12-13, Dhahran, Saudi Arabia

COMSOL solution, the corresponding bound chloride (Cb)

can readily be post-processed by algebraic relation given in

Equation (5). Likewise, post processing on Equation (6)

provides for the total chlorides (Ca). Concurrent increase in

the level of the total chlorides (Ca) is observed throughout

the penetrated zone. This simultaneous change in Ca is

evidently attributable to the chloride binding capacity front

active within the zone.

concrete sea structures-theory," ASCE Journal of

Structural Division, 105(6), 1979: 1137-1153.

[4] A.V. Saetta, R.V. Scotta, and R.V. Viataliani,

"Analysis of chloride diffusion into partially saturated

concrete," ACI Material Journal, 90(5), 1993: 441-451.

[5] A.V. Saetta, R.V. Scotta, and R.V. Viataliani,

"Reliability of reinforced concrete structures under

chemical-physical attack," The Arabian Journal of

Science and Engineering, 23(2C), 1998: 41-56.

Conclusions

A model of chloride transport in concrete considering

chloride diffusion and chloride binding has been presented.

Concordance of experimental data with results obtained

from the COMSOL Multiphysics solutions illustrates the

suitability and robustness of the COMSOL simulations

approach to completely cope with complexity and

nonlinearity of the problem. Modeling to account for

chloride binding in diffusive transport of chlorides in such

a pragmatic manner would have otherwise proved

cumbersome and far much difficult to accomplish. The

contrasting behavior observed between the free and bound

chlorides levels underscores the importance of including

chloride binding as a pre-requisite to realistic modeling of

chloride transport in concrete. Further efforts are under way

to promote exploration and evaluation of the software in

terms of higher space dimension, established material

properties, and synergetic coupling of other physics crucial

to holistic rather than isolated study of the problem within

the realm of concrete durability mechanics.

[6] M.A.

Shazali,

"Computational

Chemodamage

Transport Modeling of Durability Synergies in

Concrete", Ph.D. Dissertation, Civil Engineering

Dept., King Fahd Univ. of Petroleum & Minerals,

Saudi Arabia, 2004: 524pp.

[7] Rasheeduzzafar, S.E. Hussain, and S.S. Al-Saadoun,

"Effect of tricalcium aluminate content of cement on

chloride binding and corrosion of reinforcing steel in

concrete," ACI Material Journal, 1992:3-12.

[8] Rasheeduzzafar, S.S Al-Saadoun, A.S. Al-Gahtani, and

F.H. Dakhil, "Effect of tricalcium aluminate content of

cement on corrosion of reinforcing steel in concrete,"

Cement and Concrete Research, 20(5), 1990: 723-738.

[9] Rasheeduzzafar, S.E. Hussain, and S.S. Al-Saadoun,

"Effect of cement composition on chloride binding and

corrosion of reinforcing steel in concrete," Cement and

Concrete Research, 21(1), 1991: 777-794.

References

and hydroxyl ions in cementitious materials exposed to

a saline environment," Magazine of Concrete

Research, 44(158), 1992: 6369.

Cement and Concrete Research Institute, Stochkolm,

1982.

- surface chemistry Resonance noteUploaded byayush16up
- Surface Chemistry Theory_EUploaded bythinkiit
- ComsolUploaded byWillian Gomez Zabaleta
- COMSOL_ReleaseNotes.pdfUploaded byRoberto Gutierrez
- references.docxUploaded byahmadmohd
- assAsUploaded byMukesh Bisht
- Worktext in Differential EquationsUploaded byJeff Macabitas
- A First Course in Elementary Differential EquationsUploaded byjdsparagas
- Rasmuson a., Andersson B., Olsson L., Andersson R.-mathematical Modeling in Chemical Engineering-CUP (2014)Uploaded bymehr1384
- TPD LectureUploaded bycoolcool2167
- Balance, Kinetics, Isotherm and Thermodynamic Modeling of Adsorption of Reactive Yellow 107on to Balsamodendroncaudatum Wood Squander Activated Carbon MaterialUploaded byantonytechno
- jurnalUploaded byvellarine
- MEOR MechanismUploaded byroshanpatelia
- Chapter 2 AdsorptionUploaded byJanagaraj Sukumaran
- 12C_GRP1_FINAL PAPER.pdfUploaded byBiology Project
- CTEP PublishedUploaded byAnonymous i3lI9M
- Hydrogen peroxide modification enhances the ability of biochar (hydrochar) produced from hydrothermal carbonization of peanut hull to remove aqueous heavy metals-Batch and column tests.pdfUploaded byJulian Amaya
- Luthy, 1997Uploaded byAlicia Pastrana
- 191781 ID Pemanfaatan Daun Nanas Ananas Comosus SeUploaded byyola prisci
- Mautner2016 Article PhosphorylatedNanocellulosePapUploaded byOctavianus Rudy
- Journal of the American Oil Chemists' Society Volume 70 Issue 6 1993 [Doi 10.1007_bf02545322] Jia Mingyu; Andrew Proctor -- The Effect of Added Solvents on Soy Oil Lutein Adsorption by Silicic Acid-1Uploaded byEndah Ayuningtyas
- Index (p 643-668)Uploaded byace7721
- 1-s2.0-S0011916407001853-mainUploaded byMaycol Denis Guevara Neyra
- 6002L6Uploaded byMitpdf
- absor carUploaded byYasin K. Salman
- 1257Uploaded byJOSEPH HERBERT MABEL
- First Principles Study of Adsorption, Diffusion and Dissociation Of HydrogenUploaded byParamita Haldar
- Intronumericalrecipes v01 Chapter00 IntroUploaded byEnrique Flores
- An Experiment on Heterogeneous Catalysis_NOUploaded byKatherine Pachon Carrascal
- Drawdown(tuco).docxUploaded byAntonio Leonel Lima Bautista

- Smith v. Highway Employees, 441 U.S. 463 (1979)Uploaded byScribd Government Docs
- xydata in GISUploaded byUB
- Geltner-reading-07-08.pdfUploaded byY'moon Zahra
- Sc Food GroupsUploaded byyrbag
- Comsol TutorialUploaded byjimmy_burgos_11
- Multi Test IIUploaded byandika
- Handouts for Semantics Grad (1) (1)Uploaded byPhuong Thao Dang
- Elect Ivo RedesUploaded byKen Matsuda
- lecture8-1.pptUploaded byvarunsingh214761
- Premillennialism in Revelation 20:1-6Uploaded byJay Smith
- Chapter 13 Section 4 – Reformation Ideas SpreadUploaded byMegan Rodolico
- Suvarnaprashan Sanskar EnglishUploaded byLifecare Ayurveda Drnikul Patel
- 014 Duke Elder Examination Information for Candidates 2013Uploaded byPartialCharge
- Surprises and trends revealed during fieldwork_Marta SilvaUploaded byyorku_anthro_conf
- Razia's Shadow ScriptUploaded byMatthew Sullivan
- biology of aging... 1985–2010 and beyond...Nov 2011Uploaded byOdessa File
- english language teaching and learning in thailandUploaded byapi-196355369
- Time and Space Analysis of AlgorithmsUploaded byAbhishek Mitra
- Jurisprudence Contempt ProceedingsUploaded byRacinef Tee
- ManuCompleteCare (English)Uploaded byKelvin Chong
- ospkiUploaded byShaili Sharma Gautam
- Cheat Sheet - Evolution PDFUploaded byJuser7
- Higher Aspects of Spiritualism - William Stainton MosesUploaded byRobert Bayer
- Your Health - 24 November 2015Uploaded byTimes Media
- Augistine's Theology of HistoryUploaded byMatina Solomakou
- Radhanath Ray-Oriya PoetUploaded bySanjay Chandwani
- The Adventure of Sherlock Holmes by Arthur Conan DoyleUploaded byAnay J Panchal
- Ch12-17Uploaded byChristopherMason
- Wesley - THE ANCIENT HYPOTHESIS OF FICTION- AN ESSAY ON THE ORIGINS OF LITERARY THEORY.pdfUploaded byAnonymous Q7wGql
- Payne Smith. St. Cyril, Patriarch of Alexandria. A commentary upon the Gospel according to S. Luke. 1859. Vol. 2.Uploaded byPatrologia Latina, Graeca et Orientalis