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Displaying 26 - 50 of 115

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

November 18, 2013
Author(s)
Vladimir Diky, Robert D. Chirico, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, 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 in this journal. The present article describes the background and implementation for new additions in latest release of TDE. Advances

Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support

September 6, 2013
Author(s)
Robert D. Chirico, Michael D. Frenkel, Joe W. Magee, Vladimir Diky, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Ilmutdin M. Abdulagatov, William E. Acree, Jr., Joan F. Brennecke, Paul L. Brown, Peter T. Cummings, Theodoor W. de Loos, Daniel G. Friend, Anthony R. Goodwin, Lee D. Hansen, William M. Haynes, Nobuyoshi Koga, Andreas Mandelis, K N. Marsh, Paul M. Mathias, Clare McCabe, O'Connell J. P., Agilio Padua, Vicente Rives, Christoph Schick, Martin P. Trusler, Sergey Vyazovkin, Ron D. Weir, Jiangtao Wu
This article describes a 10-year cooperative effort between the U. S. National Institute of Standards and Technology (NIST) and five major journals in the field of thermophysical and thermochemical properties to improve the quality of published reports of

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

December 3, 2012
Author(s)
Vladimir Diky, Robert D. Chirico, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Joe W. Magee, Ilmutdin M. Abdulagatov, Carlos A. Diaz-Tovar, Jeong W. Kang, Rafiqul Gani, 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

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

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

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

NIST/TRC Web Thermo Tables (WTT) NIST Standard Reference Subscription Database 3 - Professional Edition Version 2

April 4, 2011
Author(s)
Kenneth G. Kroenlein, Chris D. Muzny, Andrei F. Kazakov, 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 more than 23,000 pure chemical compounds. The majority of these data

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

December 17, 2010
Author(s)
Vladimir Diky, Robert D. Chirico, Andrei F. Kazakov, Chris Muzny, Joe W. Magee, Ilmutdin M. Abdulagatov, Jeon-Hong Kang, Kenneth Kroenlein, 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 first steps in implementation of an algorithmic approach to assist

Quality Assessment Algorithm for Vapor-Liquid Equilibrium Data

July 6, 2010
Author(s)
Jeongwon Kang, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris D. Muzny, Ilmutdin M. Abdulagatov, Andrei F. Kazakov, Michael D. Frenkel
A quality assessment algorithm for vapor-liquid equilibrium (VLE) data has been developed. The proposed algorithm combines four widely used tests of VLE consistency based on the requirements of the Gibbs-Duhem equation with a check of consistency between

ThermoData Engine (TDE) Version 5.0 (Pure compounds, Equations of State, Binary mixtures, and Chemical Reactions)

June 7, 2010
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris D. Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Jeongwon Kang
ThermoData Engine (TDE) is the first and only full-scale software implementation of the dynamic data evaluation concept. The software provides critically evaluated thermochemical and thermophysical property values for pure compounds, binary mixtures, and

Volatility of Aprotic Ionic Liquids - A Review

August 7, 2009
Author(s)
Jose M.S.S. Esperanca, Jose N. Canongia Lopes, Mohd Tariq, Luis M.N.B.F. Santos, Joe W. Magee, Luis P. Rebelo
A review of research on the volatility of aprotic ionic liquids is presented. This topic is limited to aprotic liquids, since measurements have led to a generalization that this class of substances possesses an extremely low vapor pressure. For research

Thermodynamic and Thermophysical Properties ( Including Mixtures) of the Reference Ionic Liquid: 1-Hexyl-3-Methylimidazolium Bis[(Trifluoromethyl) Sulfonyl]amide. Part 2. Critical Evaluation and Recommended Property Values

March 20, 2009
Author(s)
Robert D. Chirico, Vladimir Diky, Joe W. Magee, Michael D. Frenkel, Kenneth N. Marsh
This article is a product of IUPAC Project 2002-005-1-100 (Thermodynamics of ionic liquids, ionic liquid mixtures, and the development of standardiized systems). Experimental results of thermodynamic, transport, and phase equilibrium studies made on a

Thermodynamic and Thermophysical Properties of the Reference Ionic Liquid: 1-Hexyl-3-Methylimidazolium Bis[(Trifluoromethyl)Sulfonyl]amide (including mixtures). Part 1. Experimental Methods and Results

March 20, 2009
Author(s)
Kenneth N. Marsh, Joan F. Brennecke, Robert D. Chirico, Michael D. Frenkel, Andreas Heintz, Joe W. Magee, Cor J. Peters, Luis P. Rebelo, Kenneth R. Seddon
This article summarized the results of IUPAC Project 2002-005-1-100 (Thermodynamics of ionic liquids, ionic liquid mixtures, and the development of standardized systems). The methods used by the various contributors to measure the thermophysical and phase

ILThermo: A Free-Access Web Database for Thermodynamic Properties of Ionic Liquids

July 15, 2007
Author(s)
Qian Dong, Chris D. Muzny, Andrei F. Kazakov, Vladimir Diky, Joe W. Magee, Jason A. Widegren, Robert D. Chirico, Kenneth N. Marsh, Michael D. Frenkel
The development, scope, and functionality of the web-based ionic liquids database, ILThermo, are described. The database is available free to the public, and aims to provide users worldwide with up-to-date information from publications of experimental
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