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, 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, S.E., Brown, P.L., Königsberger, E. and 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 & Engineering Data, 56 (2). pp. 307-316.

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 Information together with the complete updated ThermoML schema.