Literature DB >> 16045275

ThermoData Engine (TDE): software implementation of the dynamic data evaluation concept.

Michael Frenkel1, Robert D Chirico, Vladimir Diky, Xinjian Yan, Qian Dong, Chris Muzny.   

Abstract

The first full-scale software implementation of the dynamic data evaluation concept {ThermoData Engine (TDE)} is described for thermophysical property data. This concept requires the development of large electronic databases capable of storing essentially all experimental data known to date with detailed descriptions of relevant metadata and uncertainties. The combination of these electronic databases with expert-system software, designed to automatically generate recommended data based on available experimental data, leads to the ability to produce critically evaluated data dynamically or 'to order'. Six major design tasks are described with emphasis on the software architecture for automated critical evaluation including dynamic selection and application of prediction methods and enforcement of thermodynamic consistency. The direction of future enhancements is discussed.

Year:  2005        PMID: 16045275     DOI: 10.1021/ci050067b

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  5 in total

1.  Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures.

Authors:  Elizabeth A Ploetz; Paul E Smith
Journal:  J Chem Phys       Date:  2015-03-07       Impact factor: 3.488

2.  Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models.

Authors:  Owen C Madin; Simon Boothroyd; Richard A Messerly; Josh Fass; John D Chodera; Michael R Shirts
Journal:  J Chem Inf Model       Date:  2022-02-07       Impact factor: 6.162

3.  Web Thermo Tables - an On-Line Version of the TRC Thermodynamic Tables.

Authors:  Andrei Kazakov; Chris D Muzny; Robert D Chirico; Vladimir V Diky; Michael Frenkel
Journal:  J Res Natl Inst Stand Technol       Date:  2008-08-01

4.  How measurement science can improve confidence in research results.

Authors:  Anne L Plant; Chandler A Becker; Robert J Hanisch; Ronald F Boisvert; Antonio M Possolo; John T Elliott
Journal:  PLoS Biol       Date:  2018-04-23       Impact factor: 8.029

5.  NIST Gas Hydrate Research Database and Web Dissemination Channel.

Authors:  K Kroenlein; C D Muzny; A Kazakov; V V Diky; R D Chirico; M Frenkel; E D Sloan
Journal:  J Res Natl Inst Stand Technol       Date:  2010-04-01
  5 in total

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