ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria

Michael Frenkel; Vladimir Diky; Robert D. Chirico; Robert N. Goldberg; Heiko Heerklotz; John E. Ladbury; David P. Remeta; John H. Dymond; Anthony R. H. Goodwin; Kenneth N. Marsh; William A. Wakeham; Stephen E. Stein. Stephen E.; Paul L. Brown; Erich Konigsberger; Peter A. Williams

doi:10.1021/je100999j

ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria

Michael Frenkel, Vladimir Diky, Robert D. Chirico, Robert N. Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R. H. Goodwin, Kenneth N. Marsh, William A. Wakeham, Stephen E. Stein. Stephen E., Paul L. Brown, Erich Konigsberger, Peter A. Williams

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

Abstract

ThermoML is an XML-based approach for storage and exchange of measured and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation and complex equilibria are described. The text of ThermoML (xml) is provided to illustrate application of the new extensions. These are provided as Supporting Informationtogether with the complete updated ThermoML schema. © 2011 American Chemical Society.

Original language	English
Pages (from-to)	307-316
Number of pages	10
Journal	Journal of Chemical and Engineering Data
Volume	56
Issue number	2
DOIs	https://doi.org/10.1021/je100999j
Publication status	Published - 2011

Keywords

XML (document markup language)
complex equilibria
thermal properties
thermochemical properties

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10.1021/je100999j

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Frenkel, M., Diky, V., Chirico, R. D., Goldberg, R. N., Heerklotz, H., Ladbury, J. E., Remeta, D. P., Dymond, J. H., Goodwin, A. R. H., Marsh, K. N., Wakeham, W. A., Stein. Stephen E., S. E., Brown, P. L., Konigsberger, E., & Williams, P. A. (2011). ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria. Journal of Chemical and Engineering Data, 56(2), 307-316. https://doi.org/10.1021/je100999j

@article{aaafacfe07d547f7a930300c3cdf48fe,

title = "ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria",

abstract = "ThermoML is an XML-based approach for storage and exchange of measured and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation and complex equilibria are described. The text of ThermoML (xml) is provided to illustrate application of the new extensions. These are provided as Supporting Informationtogether with the complete updated ThermoML schema. {\textcopyright} 2011 American Chemical Society.",

keywords = "XML (document markup language), complex equilibria, thermal properties, thermochemical properties",

author = "Michael Frenkel and Vladimir Diky and Chirico, {Robert D.} and Goldberg, {Robert N.} and Heiko Heerklotz and Ladbury, {John E.} and Remeta, {David P.} and Dymond, {John H.} and Goodwin, {Anthony R. H.} and Marsh, {Kenneth N.} and Wakeham, {William A.} and {Stein. Stephen E.}, {Stephen E.} and Brown, {Paul L.} and Erich Konigsberger and Williams, {Peter A.}",

year = "2011",

doi = "10.1021/je100999j",

language = "English",

volume = "56",

pages = "307--316",

journal = "Journal of Chemical and Engineering Data",

issn = "0021-9568",

publisher = "American Chemical Society",

number = "2",

}

Frenkel, M, Diky, V, Chirico, RD, Goldberg, RN, Heerklotz, H, Ladbury, JE, Remeta, DP, Dymond, JH, Goodwin, ARH, Marsh, KN, Wakeham, WA, Stein. Stephen E., SE, Brown, PL, Konigsberger, E & Williams, PA 2011, 'ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria', Journal of Chemical and Engineering Data, vol. 56, no. 2, pp. 307-316. https://doi.org/10.1021/je100999j

ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria. / Frenkel, Michael; Diky, Vladimir; Chirico, Robert D. et al.
In: Journal of Chemical and Engineering Data, Vol. 56, No. 2, 2011, p. 307-316.

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

TY - JOUR

T1 - ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria

AU - Frenkel, Michael

AU - Diky, Vladimir

AU - Chirico, Robert D.

AU - Goldberg, Robert N.

AU - Heerklotz, Heiko

AU - Ladbury, John E.

AU - Remeta, David P.

AU - Dymond, John H.

AU - Goodwin, Anthony R. H.

AU - Marsh, Kenneth N.

AU - Wakeham, William A.

AU - Stein. Stephen E., Stephen E.

AU - Brown, Paul L.

AU - Konigsberger, Erich

AU - Williams, Peter A.

PY - 2011

Y1 - 2011

N2 - ThermoML is an XML-based approach for storage and exchange of measured and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation and complex equilibria are described. The text of ThermoML (xml) is provided to illustrate application of the new extensions. These are provided as Supporting Informationtogether with the complete updated ThermoML schema. © 2011 American Chemical Society.

AB - ThermoML is an XML-based approach for storage and exchange of measured and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation and complex equilibria are described. The text of ThermoML (xml) is provided to illustrate application of the new extensions. These are provided as Supporting Informationtogether with the complete updated ThermoML schema. © 2011 American Chemical Society.

KW - XML (document markup language)

KW - complex equilibria

KW - thermal properties

KW - thermochemical properties

UR - http://handle.uws.edu.au:8081/1959.7/525424

U2 - 10.1021/je100999j

DO - 10.1021/je100999j

M3 - Article

SN - 0021-9568

VL - 56

SP - 307

EP - 316

JO - Journal of Chemical and Engineering Data

JF - Journal of Chemical and Engineering Data

IS - 2

ER -

ThermoML : an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. 5. Speciation and complex equilibria

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Keywords

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