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Search Publications by: Robert D Chirico (Assoc)

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Displaying 51 - 75 of 188

ThermoData Engine (TDE) Version 7.0 (Pure compounds, Binary Mixtures, Ternary Mixtures, Chemical Reactions) Standard Reference Database 103b

June 11, 2012
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris D. Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Kenneth G. Kroenlein, Carlos A. Diaz-Tovar, Jeong W. Kang, Rafiqul Gani
The first full-scale software implementation of the dynamic data evaluation concept {ThermoData Engine (TDE)} is described for thermophysical and thermochemical property data. This concept requires the development of large electronic databases capable of

Guidelines for reporting of phase equilibrium measurements (IUPAC Recommendations 2012)

April 27, 2012
Author(s)
Robert D. Chirico, Theodoor W. de Loos, Juergen Gmehling, Anthony R. Goodwin, Sumnesh Gupta, Kenneth N. Marsh, Calvin Spencer, Martin P. Trusler, William M. Haynes, Vicente Rives, Joan F. Brennecke
Recommendations are given for reporting in the primary scientific literature of measurements involving phase equilibrium. The focus is on documentation issues, and many of the recommendations may also be applied to the more general fields of thermodynamic

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

January 27, 2012
Author(s)
Vladimir Diky, Robert D. Chirico, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Joe W. Magee, Ilmutdin M. Abdulagatov, Jeongwon J. Kang, Michael D. Frenkel
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present paper describes the first application of this concept to the evaluation of thermophysical properties for

NIST/TRC SOURCE Data Archival System: the Next-Generation Data Model for Storage of Thermophysical Properties

January 2, 2012
Author(s)
Andrei F. Kazakov, Chris D. Muzny, Kenneth G. Kroenlein, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Ilmutdin M. Abdulagatov, Michael D. Frenkel
A new data model for storage of experimental thermophysical and thermochemical property data was developed and implemented for NIST/TRC SOURCE data archival system. Substantial improvements in data quality as well as system usability and extendability are

ThermoData Engine (TDE) Version 6.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions)

September 27, 2011
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Kenneth Kroenlein, Jeon-Hong Kang
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept. In the present release, properties for ternary mixtures are calculated through combination of critically evaluated results for the constituent

ThermoPlan: Experimental Planning and Coverage Evaluation Aid for Thermophysical Property Measurement NIST Standard Reference Database #167

September 26, 2011
Author(s)
Kenneth G. Kroenlein, Vladimir Diky, Chris D. Muzny, Robert D. Chirico, Joe W. Magee, Michael D. Frenkel
This web application provides free and open access for the broader research community to the experimental planning utilities that are incorporated into ThermoData Engine (TDE) [J. Chem. Inf. Model. 2011, 51, 181–194]. TDE provides recommendations for the

Extension of ThermoML: The IUPAC Standard for Thermodynamic Data Communications (IUPAC Recommendations 2011)

September 7, 2011
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Paul L. Brown, John H. Dymond, Robert N. Goldberg, Anthony R. Goodwin, Heiko Heerklotz, Erich Koenigsberger, John E. Ladbury, Kenneth N. Marsh, David P. Remeta, Stephen E. Stein, William A. Wakeham, Peter A. Williams
ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibria, and

Gas Hydrate Research Database and Options for Data Exchange

July 21, 2011
Author(s)
Kenneth G. Kroenlein, Chris D. Muzny, Vladimir Diky, Robert D. Chirico, Michael D. Frenkel, E. D. Sloan
To facilitate advances in application of technologies pertaining to gas hydrates, a freely available data resource containing experimentally derived information about those materials was developed. This database is primary focused on thermophysical

A New Method for Evaluation of UNIFAC Interaction Parameters

July 1, 2011
Author(s)
Jeongwon Kang, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris Muzny, Ilmutdin M. Abdulagatov, Andrei F. Kazakov, Michael D. Frenkel
A new method for obtaining UNIFAC group-group interaction parameters is proposed using evaluated thermophysical property data generated at the Thermodynamics Research Center (TRC) of the National Institute of Standards and Technology (NIST). Using the

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

April 26, 2011
Author(s)
Kenneth G. Kroenlein, Chris D. Muzny, Vladimir Diky, Andrei F. Kazakov, Robert D. Chirico, Joe W. Magee, Ilmutdin M. Abdulagatov, Michael D. Frenkel
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. In the present paper, we describe the development of a World Wide Web-based interface to TDE evaluations

NIST/TRC Web Thermo Tables (WTT) NIST Standard Reference Subscription Database 2 - Lite Edition Version 2

April 4, 2011
Author(s)
Kenneth G. Kroenlein, Chris D. Muzny, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Ilmutdin M. Abdulagatov, Michael D. Frenkel
This NIST standard reference web subscription database provides access to more than 50 thermophysical and thermochemical property data and their uncertainties, critically evaluated for 150 commonly-used pure chemical compounds. The majority of these data