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Title: Heating induced structural and chemical behavior of KD{sub 2}PO{sub 4} in the 25 °C–215 °C temperature range

Abstract

We have used powder x-ray diffraction (XRD) to investigate the structural and chemical modifications undergone by KD{sub 2}PO{sub 4} (DKDP) upon heating from room temperature to 215 °C. Full-profile (Le Bail) analysis of our temperature-resolved data shows no evidence of polymorphic structural transitions or deuterium–hydrogen isotope exchange occurring below T{sub s} = 185 °C. The lattice parameters of DKDP vary smoothly upon heating to T{sub s} and are 0.2% to 0.6% greater than those of its isostructural hydrogenated counterpart KH{sub 2}PO{sub 4} (KDP). In addition, XRD isotherms collected at T{sub s} demonstrate the structural and chemical stability of the title compound at this temperature over a 10.5 h time period. Upon further heating, however, the tetragonal DKDP phase becomes unstable, as evidenced by its transition to a monoclinic DKDP modification and eventual chemical decomposition via dehydration. - Highlights: • Structural and chemical behavior of KD{sub 2}PO{sub 4} is investigated upon heating to 215 °C • No polymorphic transitions or deuterium-hydrogen isotope exchange below T{sub s} = 185 °C • KD{sub 2}PO{sub 4} is structurally and chemically stable at T{sub s} over a 10.5 h time period • KD{sub 2}PO{sub 4} chemically decomposes via dehydration upon heating above T{sub d} =more » 195 °C.« less

Authors:
; ; ;
Publication Date:
OSTI Identifier:
22285079
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Characterization; Journal Volume: 83; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DECOMPOSITION; DEHYDRATION; DEUTERATION; DEUTERIUM; LATTICE PARAMETERS; MODIFICATIONS; MONOCLINIC LATTICES; POTASSIUM PHOSPHATES; TEMPERATURE RANGE 0273-0400 K; X-RAY DIFFRACTION

Citation Formats

Botez, Cristian E., E-mail: cbotez@utep.edu, Morris, Joshua L., Encerrado Manriquez, Andres J., and Anchondo, Adan. Heating induced structural and chemical behavior of KD{sub 2}PO{sub 4} in the 25 °C–215 °C temperature range. United States: N. p., 2013. Web. doi:10.1016/J.MATCHAR.2013.06.010.
Botez, Cristian E., E-mail: cbotez@utep.edu, Morris, Joshua L., Encerrado Manriquez, Andres J., & Anchondo, Adan. Heating induced structural and chemical behavior of KD{sub 2}PO{sub 4} in the 25 °C–215 °C temperature range. United States. doi:10.1016/J.MATCHAR.2013.06.010.
Botez, Cristian E., E-mail: cbotez@utep.edu, Morris, Joshua L., Encerrado Manriquez, Andres J., and Anchondo, Adan. Sun . "Heating induced structural and chemical behavior of KD{sub 2}PO{sub 4} in the 25 °C–215 °C temperature range". United States. doi:10.1016/J.MATCHAR.2013.06.010.
@article{osti_22285079,
title = {Heating induced structural and chemical behavior of KD{sub 2}PO{sub 4} in the 25 °C–215 °C temperature range},
author = {Botez, Cristian E., E-mail: cbotez@utep.edu and Morris, Joshua L. and Encerrado Manriquez, Andres J. and Anchondo, Adan},
abstractNote = {We have used powder x-ray diffraction (XRD) to investigate the structural and chemical modifications undergone by KD{sub 2}PO{sub 4} (DKDP) upon heating from room temperature to 215 °C. Full-profile (Le Bail) analysis of our temperature-resolved data shows no evidence of polymorphic structural transitions or deuterium–hydrogen isotope exchange occurring below T{sub s} = 185 °C. The lattice parameters of DKDP vary smoothly upon heating to T{sub s} and are 0.2% to 0.6% greater than those of its isostructural hydrogenated counterpart KH{sub 2}PO{sub 4} (KDP). In addition, XRD isotherms collected at T{sub s} demonstrate the structural and chemical stability of the title compound at this temperature over a 10.5 h time period. Upon further heating, however, the tetragonal DKDP phase becomes unstable, as evidenced by its transition to a monoclinic DKDP modification and eventual chemical decomposition via dehydration. - Highlights: • Structural and chemical behavior of KD{sub 2}PO{sub 4} is investigated upon heating to 215 °C • No polymorphic transitions or deuterium-hydrogen isotope exchange below T{sub s} = 185 °C • KD{sub 2}PO{sub 4} is structurally and chemically stable at T{sub s} over a 10.5 h time period • KD{sub 2}PO{sub 4} chemically decomposes via dehydration upon heating above T{sub d} = 195 °C.},
doi = {10.1016/J.MATCHAR.2013.06.010},
journal = {Materials Characterization},
number = ,
volume = 83,
place = {United States},
year = {Sun Sep 15 00:00:00 EDT 2013},
month = {Sun Sep 15 00:00:00 EDT 2013}
}