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Pure Appl. Chem., 2006, Vol. 78, No. 3, pp. 541-612

http://dx.doi.org/10.1351/pac200678030541

COMMITTEE ON PRINTED AND ELECTRONIC PUBLICATIONS

XML-based IUPAC standard for experimental, predicted, and critically evaluated thermodynamic property data storage and capture (ThermoML) (IUPAC Recommendations 2006)

Michael Frenkel1*, Robert D. Chiroco1, Vladimir Diky1, Qian Dong1, Kenneth N. Marsh2, John H. Dymond3, William A. Wakeham4, Stephen E. Stein5, Erich Königsberger6 and Anthony R. H. Goodwin7

1 Physical and Chemical Properties Division, National Institute of Standards and Technology, Boulder, CO 80305-3328, USA
2 Department of Chemical and Process Engineering, University of Canterbury, Private Bag 4800, Christchurch, New Zealand
3 Chemistry Department, University of Glasgow, Glasgow G12 8QQ, UK
4 School of Engineering Sciences, University of Southampton, Highfield, Southampton SO17 1BJ, UK
5 Physical and Chemical Properties Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8380, USA
6 School of Engineering Science, Murdoch University, Murdoch, WA 6150, Australia
7 Schlumberger Technology Corporation, 125 Industrial Blvd., Sugar Land, TX 77478, USA

Individual author index pages

Other PAC articles by these authors

Erich Königsberger
Solid-solute phase equilibria in aqueous solution: Fundamentals and applications
2013, Vol. 85, Issue 11, pp. 2089-2095 [Details + Abstract] [Full text - pdf 148 kB]
Robert D. Chirico, Theodoor W. de Loos, Jürgen Gmehling, Anthony R. H. Goodwin, Sumnesh Gupta, William M. Haynes, Kenneth N. Marsh, Vicente Rives, James D. Olson, Calvin Spencer, Joan F. Brennecke and J. P. Martin Trusler
Guidelines for reporting of phase equilibrium measurements (IUPAC Recommendations 2012)
2012, Vol. 84, Issue 8, pp. 1785-1813 [Details + Abstract] [Full text - pdf 441 kB]
Michael Frenkel, Robert D. Chirico, Vladimir Diky, Paul L. Brown, John H. Dymond, Robert N. Goldberg, Anthony R. H. Goodwin, Heiko Heerklotz, Erich Königsberger, John E. Ladbury, Kenneth N. Marsh, David P. Remeta, Stephen E. Stein, William A. Wakeham and Peter A. Williams
Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011)
2011, Vol. 83, Issue 10, pp. 1937-1969 [Details + Abstract] [Full text - pdf 2215 kB]
Erich Königsberger, Sebastian Bochmann, Peter M. May and Glenn Hefter
Thermodynamics of impurities in hydrometallurgical processes
2011, Vol. 83, Issue 5, pp. 1075-1084 [Details + Abstract] [Full text - pdf 706 kB]
Erich Königsberger, Glenn Hefter and Peter M. May
Solubility and related properties in hydrometallurgy
2009, Vol. 81, Issue 9, pp. 1537-1545 [Details + Abstract] [Full text - pdf 522 kB]
Robert D. Chirico, Vladimir Diky, Joseph W. Magee, Michael Frenkel and Kenneth N. Marsh
Thermodynamic and thermophysical properties of the reference ionic liquid: 1-Hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide (including mixtures). Part 2. Critical evaluation and recommended property values (IUPAC Technical Report)
2009, Vol. 81, Issue 5, pp. 791-828 [Details + Abstract] [Full text - pdf 553 kB]
Kenneth N. Marsh, Joan F. Brennecke, Robert D. Chirico, Michael Frenkel, Andreas Heintz, Joseph W. Magee, Cor J. Peters, Luis Paulo N. Rebelo and Kenneth R. Seddon
Thermodynamic and thermophysical properties of the reference ionic liquid: 1-Hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide (including mixtures). Part 1. Experimental methods and results (IUPAC Technical Report)
2009, Vol. 81, Issue 5, pp. 781-790 [Details + Abstract] [Full text - pdf 214 kB]
Gunnar Eriksson and Erich Königsberger
FactSage and ChemApp: Two tools for the prediction of multiphase chemical equilibria in solutions
2008, Vol. 80, Issue 6, pp. 1293-1302 [Details + Abstract] [Full text - pdf 188 kB]
Erich Königsberger
Preface
2008, Vol. 80, Issue 6, pp. iv [Details] [Full text - pdf 31 kB]
John H. Dymond
Preface
2007, Vol. 79, Issue 8, pp. iv [Details] [Full text - pdf 39 kB]
M. Frenkel
Global communications and expert systems in thermodynamics: Connecting property measurement and chemical process design
2005, Vol. 77, Issue 8, pp. 1349-1367 [Details + Abstract] [Full text - pdf 1088 kB]
J. H. Dymond
Preface
2005, Vol. 77, Issue 8, pp. iv [Details] [Full text - pdf 71 kB]
Erich Königsberger
Solubility equilibria. From data optimization to process simulation
2002, Vol. 74, Issue 10, pp. 1831-1841 [Details + Abstract] [Full text - pdf 233 kB]
Erich Königsberger and Lan-Chi Königsberger
Thermodynamic modeling of crystal deposition in humans
2001, Vol. 73, Issue 5, pp. 785-797 [Details + Abstract] [Full text - pdf 232 kB]
Kenneth N. Marsh
Role of reference materials for the realization of physicochemical properties. Past, present, and future
2000, Vol. 72, Issue 10, pp. 1809-1818 [Details + Abstract] [Full text - pdf 66 kB]
H. Gamsjäger, Erich Königsberger and W. Preis
Solubilities of metal carbonates
1998, Vol. 70, Issue 10, pp. 1913-1920 [Details] [Full text - pdf 503 kB]
J. H. Dymond
Vapour-liquid equilibria in alkan-1-ol + n-alkane mixtures (Technical Report)
1994, Vol. 66, Issue 3, pp. 553-564 [Details] [Full text - pdf 885 kB]
C. Tsonopoulos, J. H. Dymond and A. M. Szafranski
Second virial coefficients of normal alkanes, linear 1-alkanols and their binaries
1989, Vol. 61, Issue 8, pp. 1387-1394 [Details] [Full text - pdf 476 kB]
J. H. Dymond and C. G. Panayiotou
Preface
1989, Vol. 61, Issue 8, pp. 1362 [Details] [Full text - pdf 70 kB]