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Database of Thermodynamic Properties for Aqueous Organic Compounds
Authors:N. V. Plyasunova  A. V. Plyasunov  E. L. Shock
Affiliation:(1) Department of Geological Sciences, Arizona State University, Box 871404, Tempe, Arizona, 85287, U.S.A;(2) Institute of Experimental Mineralogy of the Russian Academy of Science, Chernogolovka, 142432, Russia;(3) Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona, 85287, U.S.A
Abstract:Results are presented from a project undertaken to develop a database for properties of organic compounds relevant for geochemistry and environmental chemistry. The database includes critically assessed standard thermodynamic properties in aqueous solution, properties of pure compounds at ambient conditions, and bibliographic references. All information stored in the databases is accessible through a web interface, which includes calculation modules for evaluating properties at elevated temperatures and pressures. The basic structure of the databases and the web interface design are described.
Keywords:aqueous solutions  database  data compilation  organic compounds  pure compounds  thermodynamic properties  thermodynamic properties of hydration
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