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 RD; Goldberg RN; Heerklotz H; Ladbury JE; Remeta DP; Dymond JH; Goodwin ARH; Marsh KN; Wakeham WA; Stein SE; Brown PL; Konigsberger E; William PA

Journal of Chemical and Engineering Data, Vol.56, No.2, 307-316, 2011

Frenkel M, Diky V, Chirico RD, Goldberg RN, Heerklotz H, Ladbury JE, Remeta DP, Dymond JH, Goodwin ARH, Marsh KN, Wakeham WA, Stein SE, Brown PL, Konigsberger E, William PA

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.