Multi-scale hydration modeling of calcium sulphates

A.C.J. de Korte, Jos Brouwers

Research output: Chapter in Book/Report/Conference proceedingChapterAcademic

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Abstract

Computer models for cement hydration has been proven to be a useful tool for understanding the chemistry of cement hydration, simulating the microstructure development of hydrating paste and predicting the properties of the hydration process /1/. One of these advanced models is CEMHYD3D, which is used and extended within the University of Twente for the last 12 years with pore water chemistry /2/, slag cement /3/ and multi-time modeling /4/. Chen and Brouwers /5/ pointed out that the smallest size handled in CEMHYD3D, called the ‘system resolution’ is important for a digitized model. Features smaller than the voxel sizes cannot be represented since the model works based on the movement and phase change of each discrete voxel. Furthermore, the system resolution determines the amount of computing time needed for a specific task, a higher system resolution will lead to longer computational time. Due to better computational possibilities, the use of higher resolutions is possible nowadays. This article shows the effects of using different resolutions with CEMHYD3D. This is done for the ‘fresh’ mixtures as well as during hydration modeling of the binder. The model has been modified to cope with several different resolutions from 0.20-2 μm (or 500-50 voxels in the system in a box of 100 μm x 100 μm x 100 μm). This paper shows two methods for the multi-scale modeling. The first method consists of a system, which use a modified PSD-line for each resolution. The second method uses the same digitized initial microstructure, but in stead of 1 voxel of 1 x 1 x 1 μm3 for 200 μm-system 8 voxels of 0.5 x 0.5 x 0.5 μm3 are used and for the 300-μm system 27 voxels of 0.33 x 0.33 x 0.33 μm3.
Original languageUndefined
Title of host publication17th Internationale Baustofftagung, Vol. 1
EditorsH.B Fischer, K.A. Bode
Place of PublicationWeimar
PublisherF.A. Finger Institut für Baustoffkunde
Pages413-418
Publication statusPublished - 2009

Publication series

Name
PublisherF.A. Finger-Institut fur Baustoffkunde

Keywords

  • IR-67944

Cite this

de Korte, A. C. J., & Brouwers, J. (2009). Multi-scale hydration modeling of calcium sulphates. In H. B. Fischer, & K. A. Bode (Eds.), 17th Internationale Baustofftagung, Vol. 1 (pp. 413-418). Weimar: F.A. Finger Institut für Baustoffkunde.
de Korte, A.C.J. ; Brouwers, Jos. / Multi-scale hydration modeling of calcium sulphates. 17th Internationale Baustofftagung, Vol. 1. editor / H.B Fischer ; K.A. Bode. Weimar : F.A. Finger Institut für Baustoffkunde, 2009. pp. 413-418
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de Korte, ACJ & Brouwers, J 2009, Multi-scale hydration modeling of calcium sulphates. in HB Fischer & KA Bode (eds), 17th Internationale Baustofftagung, Vol. 1. F.A. Finger Institut für Baustoffkunde, Weimar, pp. 413-418.

Multi-scale hydration modeling of calcium sulphates. / de Korte, A.C.J.; Brouwers, Jos.

17th Internationale Baustofftagung, Vol. 1. ed. / H.B Fischer; K.A. Bode. Weimar : F.A. Finger Institut für Baustoffkunde, 2009. p. 413-418.

Research output: Chapter in Book/Report/Conference proceedingChapterAcademic

TY - CHAP

T1 - Multi-scale hydration modeling of calcium sulphates

AU - de Korte, A.C.J.

AU - Brouwers, Jos

PY - 2009

Y1 - 2009

N2 - Computer models for cement hydration has been proven to be a useful tool for understanding the chemistry of cement hydration, simulating the microstructure development of hydrating paste and predicting the properties of the hydration process /1/. One of these advanced models is CEMHYD3D, which is used and extended within the University of Twente for the last 12 years with pore water chemistry /2/, slag cement /3/ and multi-time modeling /4/. Chen and Brouwers /5/ pointed out that the smallest size handled in CEMHYD3D, called the ‘system resolution’ is important for a digitized model. Features smaller than the voxel sizes cannot be represented since the model works based on the movement and phase change of each discrete voxel. Furthermore, the system resolution determines the amount of computing time needed for a specific task, a higher system resolution will lead to longer computational time. Due to better computational possibilities, the use of higher resolutions is possible nowadays. This article shows the effects of using different resolutions with CEMHYD3D. This is done for the ‘fresh’ mixtures as well as during hydration modeling of the binder. The model has been modified to cope with several different resolutions from 0.20-2 μm (or 500-50 voxels in the system in a box of 100 μm x 100 μm x 100 μm). This paper shows two methods for the multi-scale modeling. The first method consists of a system, which use a modified PSD-line for each resolution. The second method uses the same digitized initial microstructure, but in stead of 1 voxel of 1 x 1 x 1 μm3 for 200 μm-system 8 voxels of 0.5 x 0.5 x 0.5 μm3 are used and for the 300-μm system 27 voxels of 0.33 x 0.33 x 0.33 μm3.

AB - Computer models for cement hydration has been proven to be a useful tool for understanding the chemistry of cement hydration, simulating the microstructure development of hydrating paste and predicting the properties of the hydration process /1/. One of these advanced models is CEMHYD3D, which is used and extended within the University of Twente for the last 12 years with pore water chemistry /2/, slag cement /3/ and multi-time modeling /4/. Chen and Brouwers /5/ pointed out that the smallest size handled in CEMHYD3D, called the ‘system resolution’ is important for a digitized model. Features smaller than the voxel sizes cannot be represented since the model works based on the movement and phase change of each discrete voxel. Furthermore, the system resolution determines the amount of computing time needed for a specific task, a higher system resolution will lead to longer computational time. Due to better computational possibilities, the use of higher resolutions is possible nowadays. This article shows the effects of using different resolutions with CEMHYD3D. This is done for the ‘fresh’ mixtures as well as during hydration modeling of the binder. The model has been modified to cope with several different resolutions from 0.20-2 μm (or 500-50 voxels in the system in a box of 100 μm x 100 μm x 100 μm). This paper shows two methods for the multi-scale modeling. The first method consists of a system, which use a modified PSD-line for each resolution. The second method uses the same digitized initial microstructure, but in stead of 1 voxel of 1 x 1 x 1 μm3 for 200 μm-system 8 voxels of 0.5 x 0.5 x 0.5 μm3 are used and for the 300-μm system 27 voxels of 0.33 x 0.33 x 0.33 μm3.

KW - IR-67944

M3 - Chapter

SP - 413

EP - 418

BT - 17th Internationale Baustofftagung, Vol. 1

A2 - Fischer, H.B

A2 - Bode, K.A.

PB - F.A. Finger Institut für Baustoffkunde

CY - Weimar

ER -

de Korte ACJ, Brouwers J. Multi-scale hydration modeling of calcium sulphates. In Fischer HB, Bode KA, editors, 17th Internationale Baustofftagung, Vol. 1. Weimar: F.A. Finger Institut für Baustoffkunde. 2009. p. 413-418