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Statements

Subject Item
n2:RIV%2F60461373%3A22310%2F13%3A43895704%21RIV14-MSM-22310___
rdf:type
n9:Vysledek skos:Concept
rdfs:seeAlso
http://dx.doi.org/10.1016/j.tca.2013.08.004
dcterms: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.
dcterms:title
Thermodynamic properties of rock-salt ZnO Thermodynamic properties of rock-salt ZnO
skos:prefLabel
Thermodynamic properties of rock-salt ZnO Thermodynamic properties of rock-salt ZnO
skos:notation
RIV/60461373:22310/13:43895704!RIV14-MSM-22310___
n9:predkladatel
n13:orjk%3A22310
n3:aktivita
n10:S
n3:aktivity
S
n3:cisloPeriodika
NOV 20 2013
n3:dodaniDat
n17:2014
n3:domaciTvurceVysledku
n12:6541690 n12:9559043 n12:5395097
n3:druhVysledku
n4:J
n3:duvernostUdaju
n19:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
110948
n3:idVysledku
RIV/60461373:22310/13:43895704
n3:jazykVysledku
n11:eng
n3:klicovaSlova
Heat capacity; Gibbs energy; Entropy; Enthalpy; Rock salt; Zinc oxide
n3:klicoveSlovo
n8:Heat%20capacity n8:Enthalpy n8:Rock%20salt n8:Entropy n8:Gibbs%20energy n8:Zinc%20oxide
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[F82701141242]
n3:nazevZdroje
Thermochimica Acta
n3:obor
n6:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:rokUplatneniVysledku
n17:2013
n3:svazekPeriodika
572
n3:tvurceVysledku
Kamrádek, Michal Leitner, Jindřich Sedmidubský, David
n3:wos
000327825100001
s:issn
0040-6031
s:numberOfPages
5
n16:doi
10.1016/j.tca.2013.08.004
n20:organizacniJednotka
22310