About: Thermodynamic properties of rock-salt ZnO

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1016/j.tca.2013.08.004
Description	Zinc oxide represents an important material with a wide variety of applications. At the temperature T=298.15 K and standard pressure p(o) = 100 kPa ZnO exists in the hexagonal wurtzite structure, which undergoes a transformation to rock salt polymorph under the pressure of approximate to 9 GPa. A consistent set of thermodynamic functions for ZnO in the high-pressure rock salt modification has been established on the basis of thorough evaluation of experimental and calculated data. Using literature data for wurtzite ZnO, standard enthalpy of formation at 298.15 K for rock salt ZnO have been assessed as Delta H-f(o)(298.15 K)= -326.69 kJ mol(-1). Standard entropy S-m(o)(298.15 K)=45.42 J K-1 mol(-1) was derived from published low temperature heat capacity. The temperature dependence of the standard molar heat capacity above room temperature in the form C-pm(o) = 45.91 + 0.009089T - 604976/T-2 + 4.159 x 10(-6)T(2) (J K-1 mol(-1)) has been derived. The dataset is consistent with the transition pressure p(tr) =9.6 GPa for wurtzite to rock salt transformation at room temperature. Zinc oxide represents an important material with a wide variety of applications. At the temperature T=298.15 K and standard pressure p(o) = 100 kPa ZnO exists in the hexagonal wurtzite structure, which undergoes a transformation to rock salt polymorph under the pressure of approximate to 9 GPa. A consistent set of thermodynamic functions for ZnO in the high-pressure rock salt modification has been established on the basis of thorough evaluation of experimental and calculated data. Using literature data for wurtzite ZnO, standard enthalpy of formation at 298.15 K for rock salt ZnO have been assessed as Delta H-f(o)(298.15 K)= -326.69 kJ mol(-1). Standard entropy S-m(o)(298.15 K)=45.42 J K-1 mol(-1) was derived from published low temperature heat capacity. The temperature dependence of the standard molar heat capacity above room temperature in the form C-pm(o) = 45.91 + 0.009089T - 604976/T-2 + 4.159 x 10(-6)T(2) (J K-1 mol(-1)) has been derived. The dataset is consistent with the transition pressure p(tr) =9.6 GPa for wurtzite to rock salt transformation at room temperature. (en)
Title	Thermodynamic properties of rock-salt ZnO Thermodynamic properties of rock-salt ZnO (en)
skos:prefLabel	Thermodynamic properties of rock-salt ZnO Thermodynamic properties of rock-salt ZnO (en)
skos:notation	RIV/60461373:22310/13:43895704!RIV14-MSM-22310___
http://linked.open...avai/riv/aktivita	S
http://linked.open...avai/riv/aktivity	S
http://linked.open...iv/cisloPeriodika	NOV 20 2013
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Kamrádek, Michal Leitner, Jindřich Sedmidubský, David
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	110948
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/13:43895704
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Heat capacity; Gibbs energy; Entropy; Enthalpy; Rock salt; Zinc oxide (en)
http://linked.open.../riv/klicoveSlovo	Enthalpy Zinc oxide Rock salt Entropy Gibbs energy Heat capacity
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[F82701141242]
http://linked.open...i/riv/nazevZdroje	Thermochimica Acta
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	572
http://linked.open...iv/tvurceVysledku	Leitner, Jindřich Sedmidubský, David Kamrádek, Michal
http://linked.open...ain/vavai/riv/wos	000327825100001
issn	0040-6031
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.tca.2013.08.004
http://localhost/t...ganizacniJednotka	22310

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