Non-ideal solid solution aqueous solution modeling of synthetic calcium silicate hydrate

Colin S. Walker; David Savage; Mark Tyrer; Kristín Vala Ragnarsdóttir

doi:10.1016/j.cemconres.2006.12.002

Non-ideal solid solution aqueous solution modeling of synthetic calcium silicate hydrate

Colin S. Walker^*, David Savage, Mark Tyrer, Kristín Vala Ragnarsdóttir

^*Corresponding author for this work

Faculty of Earth Sciences

Research output: Contribution to journal › Article › peer-review

47 Citations (Scopus)

Abstract

New data relevant to calcium silicate hydrate (C-S-H) gels prepared at room temperature have been obtained over a time period of up to 112 weeks. X-ray diffraction (XRD) indicates equilibrium was attained after 64 weeks. Coupled with fourier transform infrared (FT-IR) spectroscopy, a phase change in C-S-H gel at Ca/Si ≈ 1.0 was identified and the occurrence of portlandite as a distinct phase for Ca/Si > 1.64. The incongruent dissolution of C-S-H gel was modeled as a non-ideal solid solution aqueous solution (SSAS) between the end-member components CaH₂SiO₄ (CSH) and Ca(OH)₂ (CH) using equations defining the solidus and solutus curves on a Lippmann phase diagram. Despite being semi-empirical, the model provides a reasonable and consistent fit to the solubility data and can therefore be used to describe the incongruent dissolution of C-S-H gels with compositions Ca/Si ≥ 1.0.

Original language	English
Pages (from-to)	502-511
Number of pages	10
Journal	Cement and Concrete Research
Volume	37
Issue number	4
DOIs	https://doi.org/10.1016/j.cemconres.2006.12.002
Publication status	Published - Apr 2007

Bibliographical note

Funding Information:
This work was funded by a Natural Environment Research Council (NERC) CASE PhD studentship with contributions from Nirex, Nagra, and Castle Cement. We are indebted to Rory Wilson, Richard Brooker and Poon Cheung Choi who assisted us with the access and use of the PSD-XRD, FT-IR and ICP-AES instruments, respectively. We would also like to thank the anonymous reviewers whose suggestions improved this manuscript.

Other keywords

A. pH
B. calcium silicate hydrate (C-S-H)
C. Ca(OH)
E. Modeling

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10.1016/j.cemconres.2006.12.002

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title = "Non-ideal solid solution aqueous solution modeling of synthetic calcium silicate hydrate",

abstract = "New data relevant to calcium silicate hydrate (C-S-H) gels prepared at room temperature have been obtained over a time period of up to 112 weeks. X-ray diffraction (XRD) indicates equilibrium was attained after 64 weeks. Coupled with fourier transform infrared (FT-IR) spectroscopy, a phase change in C-S-H gel at Ca/Si ≈ 1.0 was identified and the occurrence of portlandite as a distinct phase for Ca/Si > 1.64. The incongruent dissolution of C-S-H gel was modeled as a non-ideal solid solution aqueous solution (SSAS) between the end-member components CaH2SiO4 (CSH) and Ca(OH)2 (CH) using equations defining the solidus and solutus curves on a Lippmann phase diagram. Despite being semi-empirical, the model provides a reasonable and consistent fit to the solubility data and can therefore be used to describe the incongruent dissolution of C-S-H gels with compositions Ca/Si ≥ 1.0.",

keywords = "A. pH, B. calcium silicate hydrate (C-S-H), C. Ca(OH), E. Modeling",

author = "Walker, {Colin S.} and David Savage and Mark Tyrer and Ragnarsd{\'o}ttir, {Krist{\'i}n Vala}",

note = "Funding Information: This work was funded by a Natural Environment Research Council (NERC) CASE PhD studentship with contributions from Nirex, Nagra, and Castle Cement. We are indebted to Rory Wilson, Richard Brooker and Poon Cheung Choi who assisted us with the access and use of the PSD-XRD, FT-IR and ICP-AES instruments, respectively. We would also like to thank the anonymous reviewers whose suggestions improved this manuscript. ",

year = "2007",

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doi = "10.1016/j.cemconres.2006.12.002",

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pages = "502--511",

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T1 - Non-ideal solid solution aqueous solution modeling of synthetic calcium silicate hydrate

AU - Walker, Colin S.

AU - Savage, David

AU - Tyrer, Mark

AU - Ragnarsdóttir, Kristín Vala

N1 - Funding Information: This work was funded by a Natural Environment Research Council (NERC) CASE PhD studentship with contributions from Nirex, Nagra, and Castle Cement. We are indebted to Rory Wilson, Richard Brooker and Poon Cheung Choi who assisted us with the access and use of the PSD-XRD, FT-IR and ICP-AES instruments, respectively. We would also like to thank the anonymous reviewers whose suggestions improved this manuscript.

PY - 2007/4

Y1 - 2007/4

N2 - New data relevant to calcium silicate hydrate (C-S-H) gels prepared at room temperature have been obtained over a time period of up to 112 weeks. X-ray diffraction (XRD) indicates equilibrium was attained after 64 weeks. Coupled with fourier transform infrared (FT-IR) spectroscopy, a phase change in C-S-H gel at Ca/Si ≈ 1.0 was identified and the occurrence of portlandite as a distinct phase for Ca/Si > 1.64. The incongruent dissolution of C-S-H gel was modeled as a non-ideal solid solution aqueous solution (SSAS) between the end-member components CaH2SiO4 (CSH) and Ca(OH)2 (CH) using equations defining the solidus and solutus curves on a Lippmann phase diagram. Despite being semi-empirical, the model provides a reasonable and consistent fit to the solubility data and can therefore be used to describe the incongruent dissolution of C-S-H gels with compositions Ca/Si ≥ 1.0.

AB - New data relevant to calcium silicate hydrate (C-S-H) gels prepared at room temperature have been obtained over a time period of up to 112 weeks. X-ray diffraction (XRD) indicates equilibrium was attained after 64 weeks. Coupled with fourier transform infrared (FT-IR) spectroscopy, a phase change in C-S-H gel at Ca/Si ≈ 1.0 was identified and the occurrence of portlandite as a distinct phase for Ca/Si > 1.64. The incongruent dissolution of C-S-H gel was modeled as a non-ideal solid solution aqueous solution (SSAS) between the end-member components CaH2SiO4 (CSH) and Ca(OH)2 (CH) using equations defining the solidus and solutus curves on a Lippmann phase diagram. Despite being semi-empirical, the model provides a reasonable and consistent fit to the solubility data and can therefore be used to describe the incongruent dissolution of C-S-H gels with compositions Ca/Si ≥ 1.0.

KW - A. pH

KW - B. calcium silicate hydrate (C-S-H)

KW - C. Ca(OH)

KW - E. Modeling

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U2 - 10.1016/j.cemconres.2006.12.002

DO - 10.1016/j.cemconres.2006.12.002

M3 - Article

AN - SCOPUS:33947585038

SN - 0008-8846

VL - 37

SP - 502

EP - 511

JO - Cement and Concrete Research

JF - Cement and Concrete Research

IS - 4

ER -

Non-ideal solid solution aqueous solution modeling of synthetic calcium silicate hydrate

Abstract

Bibliographical note

Other keywords

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