Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolin

Claire E. White; Gordon J. Kearley; John L. Provis; Daniel P. Riley

doi:10.1016/j.chemphys.2013.08.009

Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolin

Claire E. White, Gordon J. Kearley, John L. Provis, Daniel P. Riley

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

15 Scopus citations

Abstract

Understanding the formation of metakaolin via kaolinite dehydroxylation is extremely important for the optimization of various industrial processes. Recent investigations have reported that the different types of hydrogen atoms in kaolinite are removed concurrently during the dehydroxylation process. Here, inelastic neutron scattering (INS) is used to analyze the location and dynamics of hydrogen atoms in kaolinite, together with the changes induced during dehydroxylation. This is achieved by using prior knowledge of how the inner and inner surface hydrogen atoms contribute to the kaolinite INS spectrum in the 200-1200 cm^-1 range, in combination with a semi-quantitative analysis of the experimental INS spectra. Overall, it is seen that there is a distinct preferential loss of inner surface hydrogen-atom types during the dehydroxylation process, as determined from analysis of the Al-O-H vibrational modes (consisting of deformation and torsion) in the INS spectrum.

Original language	English (US)
Pages (from-to)	82-86
Number of pages	5
Journal	Chemical Physics
Volume	427
DOIs	https://doi.org/10.1016/j.chemphys.2013.08.009
State	Published - Dec 12 2013
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Keywords

Hydrogen atom dynamics
Inelastic neutron scattering
Kaolinite dehydroxylation
Metakaolin

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10.1016/j.chemphys.2013.08.009

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title = "Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolin",

abstract = "Understanding the formation of metakaolin via kaolinite dehydroxylation is extremely important for the optimization of various industrial processes. Recent investigations have reported that the different types of hydrogen atoms in kaolinite are removed concurrently during the dehydroxylation process. Here, inelastic neutron scattering (INS) is used to analyze the location and dynamics of hydrogen atoms in kaolinite, together with the changes induced during dehydroxylation. This is achieved by using prior knowledge of how the inner and inner surface hydrogen atoms contribute to the kaolinite INS spectrum in the 200-1200 cm-1 range, in combination with a semi-quantitative analysis of the experimental INS spectra. Overall, it is seen that there is a distinct preferential loss of inner surface hydrogen-atom types during the dehydroxylation process, as determined from analysis of the Al-O-H vibrational modes (consisting of deformation and torsion) in the INS spectrum.",

keywords = "Hydrogen atom dynamics, Inelastic neutron scattering, Kaolinite dehydroxylation, Metakaolin",

author = "White, {Claire E.} and Kearley, {Gordon J.} and Provis, {John L.} and Riley, {Daniel P.}",

note = "Funding Information: The authors would like to thank Dr. Stewart Parker and Dr. Timmy Ramirez-Cuesta for assistance with sample loading, data acquisition and data reduction on TOSCA at ISIS, Rutherford Appleton Laboratory, UK. The participation of CEW in this work was supported by Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. Furthermore, CEW gratefully acknowledges the support of the U.S. Department of Energy through the LANL/LDRD Program. This work was funded in part by the Australian Research Council (ARC) (including some funding via the Particulate Fluids Processing Centre, a Special Research Centre of the ARC), and in part by a studentship paid to Claire White by the Centre for Sustainable Resource Processing via the Geopolymer Alliance. Travel funding for the experiments at ISIS was provided through the ANSTO Access to Major Research Facilities Program.",

year = "2013",

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doi = "10.1016/j.chemphys.2013.08.009",

language = "English (US)",

volume = "427",

pages = "82--86",

journal = "Chemical Physics",

issn = "0301-0104",

publisher = "Elsevier B.V.",

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T1 - Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolin

AU - White, Claire E.

AU - Kearley, Gordon J.

AU - Provis, John L.

AU - Riley, Daniel P.

N1 - Funding Information: The authors would like to thank Dr. Stewart Parker and Dr. Timmy Ramirez-Cuesta for assistance with sample loading, data acquisition and data reduction on TOSCA at ISIS, Rutherford Appleton Laboratory, UK. The participation of CEW in this work was supported by Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. Furthermore, CEW gratefully acknowledges the support of the U.S. Department of Energy through the LANL/LDRD Program. This work was funded in part by the Australian Research Council (ARC) (including some funding via the Particulate Fluids Processing Centre, a Special Research Centre of the ARC), and in part by a studentship paid to Claire White by the Centre for Sustainable Resource Processing via the Geopolymer Alliance. Travel funding for the experiments at ISIS was provided through the ANSTO Access to Major Research Facilities Program.

PY - 2013/12/12

Y1 - 2013/12/12

N2 - Understanding the formation of metakaolin via kaolinite dehydroxylation is extremely important for the optimization of various industrial processes. Recent investigations have reported that the different types of hydrogen atoms in kaolinite are removed concurrently during the dehydroxylation process. Here, inelastic neutron scattering (INS) is used to analyze the location and dynamics of hydrogen atoms in kaolinite, together with the changes induced during dehydroxylation. This is achieved by using prior knowledge of how the inner and inner surface hydrogen atoms contribute to the kaolinite INS spectrum in the 200-1200 cm-1 range, in combination with a semi-quantitative analysis of the experimental INS spectra. Overall, it is seen that there is a distinct preferential loss of inner surface hydrogen-atom types during the dehydroxylation process, as determined from analysis of the Al-O-H vibrational modes (consisting of deformation and torsion) in the INS spectrum.

AB - Understanding the formation of metakaolin via kaolinite dehydroxylation is extremely important for the optimization of various industrial processes. Recent investigations have reported that the different types of hydrogen atoms in kaolinite are removed concurrently during the dehydroxylation process. Here, inelastic neutron scattering (INS) is used to analyze the location and dynamics of hydrogen atoms in kaolinite, together with the changes induced during dehydroxylation. This is achieved by using prior knowledge of how the inner and inner surface hydrogen atoms contribute to the kaolinite INS spectrum in the 200-1200 cm-1 range, in combination with a semi-quantitative analysis of the experimental INS spectra. Overall, it is seen that there is a distinct preferential loss of inner surface hydrogen-atom types during the dehydroxylation process, as determined from analysis of the Al-O-H vibrational modes (consisting of deformation and torsion) in the INS spectrum.

KW - Hydrogen atom dynamics

KW - Inelastic neutron scattering

KW - Kaolinite dehydroxylation

KW - Metakaolin

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Inelastic neutron scattering analysis of the thermal decomposition of kaolinite to metakaolin

Abstract

All Science Journal Classification (ASJC) codes

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