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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

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CrossRef Cited-by Linking

  • Frenkel Michael: Thermophysical and thermochemical properties on-demand for chemical process and product design. Comput Chem Engrg 2011, 35, 393. <http://dx.doi.org/10.1016/j.compchemeng.2010.12.013>
  • Mathias Paul M., Watanasiri Suphat: Some Patterns of Fluid Phase Behavior. J Chem Eng Data 2011, 56, 1658. <http://dx.doi.org/10.1021/je200004s>
  • Frenkel Michael, Chirico Robert D., Diky Vladimir, Brown Paul L., Dymond John H., Goldberg Robert N., Goodwin Anthony R. H., Heerklotz Heiko, Königsberger Erich, Ladbury John E.: Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011). PureAppl Chem 2011, 1. <http://dx.doi.org/10.1351/PAC-REC-11-05-01>
  • Bale C.W., Bélisle E., Chartrand P., Decterov S.A., Eriksson G., Hack K., Jung I.-H., Kang Y.-B., Melançon J., Pelton A.D.: FactSage thermochemical software and databases — recent developments. Calphad J 2009, 33, 295. <http://dx.doi.org/10.1016/j.calphad.2008.09.009>
  • Adams Nico, Murray-Rust Peter: Engineering Polymer Informatics: Towards the Computer-Aided Design of Polymers. Macromol Rapid Commun 2008, 29, 615. <http://dx.doi.org/10.1002/marc.200700832>
  • Farrusseng David: High-throughput heterogeneous catalysis. Surf Sci Rep 2008, 63, 487. <http://dx.doi.org/10.1016/j.surfrep.2008.09.001>
  • Frenkel Michael: From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories. K J CHEM THERMODYN 2007, 39, 169. <http://dx.doi.org/10.1016/j.jct.2006.07.029>
  • Sloan D., Kuznetsov F., Lal K., Loewner R., Makogon Y., Moridis G., Ripmeester J., Royer Jean-Jacques, Smith T., Tohidi B.: A Hydrate Database: Vital to the Technical Community. Data Sci J 2007, 6, GH1. <http://dx.doi.org/10.2481/dsj.6.GH1>
  • Smith Tom, Ripmeester John, Sloan Dendy, Uchida Tsutomu: Gas Hydrate Markup Language: Laboratory Data. Data Sci J 2007, 6, GH18. <http://dx.doi.org/10.2481/dsj.6.GH18>