Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement

Colan E. Hughes; Brant Walkley; Laura J. Gardner; Samuel A. Walling; Susan A. Bernal; Dinu Iuga; John L. Provis; Kenneth D.M. Harris

doi:10.1016/j.ssnmr.2019.01.003

Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement

Colan E. Hughes, Brant Walkley, Laura J. Gardner, Samuel A. Walling, Susan A. Bernal, Dinu Iuga, John L. Provis, Kenneth D.M. Harris

Department of Architecture & Civil Engineering

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

20 Citations (SciVal)

Abstract

We report a high-field in-situ solid-state NMR study of the hydration of CaAl ₂ O ₄ (the most important hydraulic phase in calcium aluminate cement), based on time-resolved measurements of solid-state ²⁷ Al NMR spectra during the early stages of the reaction. A variant of the CLASSIC NMR methodology, involving alternate recording of direct-excitation and MQMAS ²⁷ Al NMR spectra, was used to monitor the ²⁷ Al species present in both the solid and liquid phases as a function of time. Our results provide quantitative information on the changes in the relative amounts of ²⁷ Al sites with tetrahedral coordination (the anhydrous reactant phase) and octahedral coordination (the hydrated product phases) as a function of time, and reveal significantly different kinetic and mechanistic behaviour of the hydration reaction at the different temperatures (20 °C and 60 °C) studied.

Original language	English
Pages (from-to)	1-6
Number of pages	6
Journal	Solid State Nuclear Magnetic Resonance
Volume	99
DOIs	https://doi.org/10.1016/j.ssnmr.2019.01.003
Publication status	Published - 31 Jul 2019

Keywords

Al NMR
Calcium aluminate
Cement formation
CLASSIC NMR
In-situ solid-state NMR

ASJC Scopus subject areas

Radiation
General Chemistry
Nuclear and High Energy Physics
Instrumentation

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title = "Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement",

abstract = " We report a high-field in-situ solid-state NMR study of the hydration of CaAl 2 O 4 (the most important hydraulic phase in calcium aluminate cement), based on time-resolved measurements of solid-state 27 Al NMR spectra during the early stages of the reaction. A variant of the CLASSIC NMR methodology, involving alternate recording of direct-excitation and MQMAS 27 Al NMR spectra, was used to monitor the 27 Al species present in both the solid and liquid phases as a function of time. Our results provide quantitative information on the changes in the relative amounts of 27 Al sites with tetrahedral coordination (the anhydrous reactant phase) and octahedral coordination (the hydrated product phases) as a function of time, and reveal significantly different kinetic and mechanistic behaviour of the hydration reaction at the different temperatures (20 °C and 60 °C) studied.",

keywords = "Al NMR, Calcium aluminate, Cement formation, CLASSIC NMR, In-situ solid-state NMR",

author = "Hughes, {Colan E.} and Brant Walkley and Gardner, {Laura J.} and Walling, {Samuel A.} and Bernal, {Susan A.} and Dinu Iuga and Provis, {John L.} and Harris, {Kenneth D.M.}",

year = "2019",

month = jul,

day = "31",

doi = "10.1016/j.ssnmr.2019.01.003",

language = "English",

volume = "99",

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journal = "Solid State Nuclear Magnetic Resonance",

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TY - JOUR

T1 - Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement

AU - Hughes, Colan E.

AU - Walkley, Brant

AU - Gardner, Laura J.

AU - Walling, Samuel A.

AU - Bernal, Susan A.

AU - Iuga, Dinu

AU - Provis, John L.

AU - Harris, Kenneth D.M.

PY - 2019/7/31

Y1 - 2019/7/31

N2 - We report a high-field in-situ solid-state NMR study of the hydration of CaAl 2 O 4 (the most important hydraulic phase in calcium aluminate cement), based on time-resolved measurements of solid-state 27 Al NMR spectra during the early stages of the reaction. A variant of the CLASSIC NMR methodology, involving alternate recording of direct-excitation and MQMAS 27 Al NMR spectra, was used to monitor the 27 Al species present in both the solid and liquid phases as a function of time. Our results provide quantitative information on the changes in the relative amounts of 27 Al sites with tetrahedral coordination (the anhydrous reactant phase) and octahedral coordination (the hydrated product phases) as a function of time, and reveal significantly different kinetic and mechanistic behaviour of the hydration reaction at the different temperatures (20 °C and 60 °C) studied.

AB - We report a high-field in-situ solid-state NMR study of the hydration of CaAl 2 O 4 (the most important hydraulic phase in calcium aluminate cement), based on time-resolved measurements of solid-state 27 Al NMR spectra during the early stages of the reaction. A variant of the CLASSIC NMR methodology, involving alternate recording of direct-excitation and MQMAS 27 Al NMR spectra, was used to monitor the 27 Al species present in both the solid and liquid phases as a function of time. Our results provide quantitative information on the changes in the relative amounts of 27 Al sites with tetrahedral coordination (the anhydrous reactant phase) and octahedral coordination (the hydrated product phases) as a function of time, and reveal significantly different kinetic and mechanistic behaviour of the hydration reaction at the different temperatures (20 °C and 60 °C) studied.

KW - Al NMR

KW - Calcium aluminate

KW - Cement formation

KW - CLASSIC NMR

KW - In-situ solid-state NMR

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U2 - 10.1016/j.ssnmr.2019.01.003

DO - 10.1016/j.ssnmr.2019.01.003

M3 - Article

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AN - SCOPUS:85061435187

SN - 0926-2040

VL - 99

SP - 1

EP - 6

JO - Solid State Nuclear Magnetic Resonance

JF - Solid State Nuclear Magnetic Resonance

ER -

Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement

Abstract

Keywords

ASJC Scopus subject areas

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