ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 9. Extensible Thermodynamic Constraints for Pure Compounds and New Model Developments

2013 ◽  
Vol 53 (12) ◽  
pp. 3418-3430 ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Chris D. Muzny ◽  
Andrei F. Kazakov ◽  
Kenneth Kroenlein ◽  
...  
Keyword(s):  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data ◽  
New Model ◽  
Pure Compounds

ThermoData Engine (TDE):  Software Implementation of the Dynamic Data Evaluation Concept

2005 ◽  
Vol 45 (4) ◽  
pp. 816-838 ◽  
Author(s):  
Michael Frenkel ◽  
Robert D. Chirico ◽  
Vladimir Diky ◽  
Xinjian Yan ◽  
Qian Dong ◽  
...  
Keyword(s):  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data

ChemInform Abstract: ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. Part 4. Chemical Reactions.

ChemInform ◽  
2010 ◽  
Vol 41 (14) ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Andrei F. Kazakov ◽  
Chris D. Muzny ◽  
Michael Frenkel
Keyword(s):  
Chemical Reactions ◽  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 4. Chemical Reactions

2009 ◽  
Vol 49 (12) ◽  
pp. 2883-2896 ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Andrei F. Kazakov ◽  
Chris D. Muzny ◽  
Michael Frenkel
Keyword(s):  
Chemical Reactions ◽  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data

Global communications and expert systems in thermodynamics: Connecting property measurement and chemical process design

2005 ◽  
Vol 77 (8) ◽  
pp. 1349-1367 ◽  
Author(s):  
Michael Frenkel
Keyword(s):  
Experimental Data ◽  
Data Storage ◽  
Thermodynamic Data ◽  
Data Evaluation ◽  
Thermochemical Property ◽  
Dynamic Data ◽  
Data Infrastructure ◽  
Software Products ◽  
Pure Compounds ◽  
Global Communications

Unprecedented growth in the number of custom-designed software tools for engineering applications has created an interoperability problem between the formats and structures of thermodynamic data files and required input/output structures designed for application software products. Various approaches for standardization of thermophysical and thermochemical property data storage and exchange are analyzed in this paper. Emphasis is made on the development of the XML-based IUPAC standard for thermodynamic data communications: ThermoML. A new process for global data submission and dissemination in the field of thermodynamics based on ThermoML and Guided Data Capture software is described. Establishment of the global submission and dissemination process for thermodynamic data lays the foundation for implementation of the new concept of dynamic data evaluation formulated at NIST/TRC, which requires the development of large electronic databases capable of storing essentially all “raw” experimental data known to date with detailed descriptions of relevant metadata and uncertainties. The combination of these databases with expert software designed primarily to generate recommended data based on available “raw” experimental data and their uncertainties leads to the possibility of producing data compilations automatically “to order”, forming a dynamic data infrastructure. Implementation of the dynamic data evaluation concept for pure compounds in the new NIST/TRC ThermoData Engine software is discussed.

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 5. Experiment Planning and Product Design

2010 ◽  
Vol 51 (1) ◽  
pp. 181-194 ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Andrei F. Kazakov ◽  
Chris D. Muzny ◽  
Joseph W. Magee ◽  
...  
Keyword(s):  
Product Design ◽  
Software Implementation ◽  
Data Evaluation ◽  
Experiment Planning ◽  
Dynamic Data

ThermoData Engine (TDE) Software Implementation of the Dynamic Data Evaluation Concept. 7. Ternary Mixtures

2011 ◽  
Vol 52 (1) ◽  
pp. 260-276 ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Chris D. Muzny ◽  
Andrei F. Kazakov ◽  
Kenneth Kroenlein ◽  
...  
Keyword(s):  
Ternary Mixtures ◽  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data

scholarly journals ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 8. Properties of Material Streams and Solvent Design

2012 ◽  
Vol 53 (1) ◽  
pp. 249-266 ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Chris D. Muzny ◽  
Andrei F. Kazakov ◽  
Kenneth Kroenlein ◽  
...  
Keyword(s):  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data ◽  
Solvent Design

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 3. Binary Mixtures

2009 ◽  
Vol 49 (2) ◽  
pp. 503-517 ◽  
Author(s):  
Vladimir Diky ◽  
Robert D. Chirico ◽  
Andrei F. Kazakov ◽  
Chris D. Muzny ◽  
Michael Frenkel
Keyword(s):  
Binary Mixtures ◽  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 6. Dynamic Web-Based Data Dissemination through the NIST Web Thermo Tables

2011 ◽  
Vol 51 (6) ◽  
pp. 1506-1512 ◽  
Author(s):  
Kenneth Kroenlein ◽  
Chris D. Muzny ◽  
Vladimir Diky ◽  
Andrei F. Kazakov ◽  
Robert D. Chirico ◽  
...  
Keyword(s):  
Data Dissemination ◽  
Software Implementation ◽  
Data Evaluation ◽  
Dynamic Data ◽  
Web Based ◽  
Dynamic Web
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