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II State of the art 6

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CONTENTS CONTENTS

Contents

I Introduction 1

II State of the art 6

1 Diffusion in porous materials 7

1.1 Porous materials properties . . . . 7

1.2 Macroscopic Diffusion . . . . 9

1.3 Microscopic Diffusion . . . . 16

1.4 Reactive transport . . . . 18

1.5 Homogenization schemes . . . . 20

1.6 Challenges for transport simulation . . . . 30

2 Cementitious materials 31 2.1 General overview . . . . 31

2.2 Cement hydration and microstructure formation . . . . 32

2.3 Stability . . . . 42

2.4 Reactive transport on cementitious materials . . . . 48

2.5 Homogenization of cementitious materials . . . . 50

3 Description of the methodology 53 III Experimental approach 55 1 Introduction and objectives 55 2 Materials and methods 57 2.1 Materials . . . . 57

2.2 Methods . . . . 59

3 Experimental results 65 3.1 Through diffusion tests . . . . 65

3.2 C

3

S paste analysis . . . . 68

4 Conclusion of the experimental part 79

IV Numerical approach 80

PhD Thesis Page vii Université Libre de Bruxelles

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CONTENTS CONTENTS

1 Introduction, objectives and methods 81

2 Algorithms 81

2.1 Numerical Microstructures Generation . . . . 81 2.2 Transport algorithms . . . . 85

3 Model of the sound material 91

3.1 Generating a microstructure of a cement paste . . . . 91 3.2 Representative Elementary Volume . . . . 92

4 Degradation of the sound material 98

4.1 REV degradation . . . . 99 4.2 Dynamic degradation modelling . . . 107

5 Conclusions of the numerical approach 116

V Modelling approach 118

1 Introduction and objectives 118

2 Statistical homogenization of diffusion 119

2.1 Hypotheses . . . 119 2.2 Relevant diffusion parameters . . . 119 2.3 Diffusion description . . . 121

3 Conclusions of the modelling approach 126

VI Coupling the approaches 128

1 Introduction 128

2 Algorithm 128

2.1 Description . . . 128 2.2 Chemistry update . . . 129 2.3 Feedback relationships . . . 130

3 Results 130

3.1 Results for leaching . . . 130 3.2 Results for carbonation . . . 133

PhD Thesis Page viii Université Libre de Bruxelles

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CONTENTS CONTENTS

VII Conclusions and perspectives 137

References 140

VIII Appendix 152

PhD Thesis Page ix Université Libre de Bruxelles

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