Towards an Information System on Solvent Extractionстатья
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Дата последнего поиска статьи во внешних источниках: 3 декабря 2017 г.
Аннотация:This article concerns the design of a prototype information
system for solvent extraction of metals including a comprehen-
sive factual database and an expert system to analyse experi-
mental extraction data. A demonstration version of the solvent
extraction database is described. Each database record corre-
sponds to one extraction equilibrium and contains three informa-
tion parts (bibliographic, extraction system description and
extraction properties) including chemical structural 2D and 3D
information for extractants, as well as thermodynamic and
kinetic data in textual, numerical and graphical forms. As expert
system we use the Substructural Molecular Fragments method
which models structure-property relationships using information
retrieved from the database. Its performance is assessed on the
distribution ratios of Hg, In and Pt extracted by 26 phosphoryl-
containing monopodands, and of uranium extracted by 32
mono- and tripodands or by 22 monoamides.