Gamsjäger, H., Gajda, T., Saxena, S.K., Sangster, J., Voigt, W.: OECD Chemical Thermodynamics series. Wagman, D.D., Evans, W.H., Parker, V.B., Schumm, R.H., Halow, I., Bailey, S.M., Churney, K.L., Nuttall, R.L.: The NBS tables of chemical thermodynamic properties-selected values for inorganic and C1 and C2 organic substances in SI units. Rowland, D., May, P.M.: Comment on “Volumetric properties of aqueous solution of lithium tetraborate from 283.15 to 363.15 K at 101.325 kPa” and its Corrigendum. Acta 72, 253–260 (1976)Ĭhirico, R.D., Frenkel, M., Magee, J.W., Diky, V., Muzny, C.D., Kazakov, A.F., Kroenlein, K., Abdulagatov, I.M., Hardin, G.R., Acree, W.E., Brenneke, J.F., Brown, P.L., Cummings, P.T., De Loos, T.W., Friend, D.G., Goodwin, A.R.H., Hansen, L.D., Haynes, W.M., Koga, N., Mandelis, A., Marsh, K.N., Mathias, P.M., McCabe, C., O’Connell, J.P., Padua, A.A.H., Rives, V., Schick, C., Trusler, J.P.M., Vyazovkin, S., Weir, R.D., Wu, J.: Improvement of quality in publication of experimental thermophysical property data: challenges, assessment tools, global implementation, and online support. Marshall, R.W., Robertson, W.G.: Nomograms for the estimation of the saturation of urine with calcium oxalate, calcium phosphate, magnesium ammonium phosphate, uric acid, sodium acid urate, ammonium acid urate and cystine. ĭePriester, C.L.: Light-hydrocarbon vapor–liquid distribution coefficients–pressure–temperature–composition charts and pressure–temperature nomographs. Thermodynamic Reference Database (Thereda). Lemire, R.J., Berner, U., Musikas, C., Palmer, D.A., Taylor, P., Tochiyama, O.: Chemical thermodynamics of iron, part 1, vol. A Revision and Continuation of the Compilation Originated by Atherton Seidell, Ph.D. Linke, W.F.: Solubilities, Inorganic and Metal–Organic Compounds, Vol. May, P.M., Rowland, D.: Thermodynamic modeling of aqueous electrolyte systems: current status. May, P.M., Murray, K.: Database of chemical reactions designed to achieve thermodynamic consistency automatically. May, P.M., Murray, K.: JESS, a Joint Expert Speciation System-I. Extension of these methods to new applications is discussed. Several examples are provided to demonstrate the application of new methodologies to problems of differing size and complexity including harmonization of aqueous reaction equilibrium constants for more than 50,000 chemical species, systematic critical assessment of the thermophysical properties of aqueous glycine and its solid–liquid equilibria over wide ranges of temperature and pressure, and development of standalone programs for users lacking training in chemical speciation problems. The maxim ‘garbage in, garbage out’ is today even more relevant than ever: without expert analysis and critical judgement, limitless storage capacity and computational power are likely just to add confusion rather than achieve meaningful insights into chemical problems. Computer databases are not like tables in a book they should be constantly evolving, easy to search and specifically designed for processing by large-scale, automated facilities, including tests for careless errors and internal consistency. Comprehensive and up-to-date thermodynamic models undoubtedly require such large databases but size alone, without well-designed data structures and good data assessment procedures, is insufficient. The Joint Expert Speciation System (JESS) is presently the world’s largest single source of thermodynamic information about aqueous electrolyte solutions.