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Search Publications by: Vladimir Diky (Fed)

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Displaying 51 - 75 of 97

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

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

Equations of State on Demand: Application for Surrogate Fuel Development

January 15, 2011
Author(s)
Marcia L. Huber, Thomas J. Bruno, Robert D. Chirico, Vladimir Diky, Andrei F. Kazakov, Eric W. Lemmon, Chris D. Muzny, Michael D. Frenkel
The NIST ThermoData Engine (TDE) is a large electronic database containing experimental data with detailed descriptions of relevant metadata and uncertainties that incorporates expert- system software to automatically generate dynamically evaluated data

ThermoML an XML-based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 5. Speciation and Complex Equilibria

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

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

Critical Constants of Organic Compounds

May 16, 2010
Author(s)
Chris D. Muzny, Vladimir Diky, Andrei F. Kazakov, Robert D. Chirico, Michael D. Frenkel
The parameters of the liquid-gas critical point are important constants in determining the behavior of fluids. This table lists the critical temperature, pressure, and molar volume, as well as the normal boiling point, for over 850 organic substances. The

NIST Gas Hydrate Research Database and Web Dissemination Channel

April 1, 2010
Author(s)
Kenneth G. Kroenlein, Vladimir Diky, Robert D. Chirico, Andrei F. Kazakov, Chris D. Muzny, Michael D. Frenkel
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 work was performed by the Thermodynamic Research

ThermoML an XML-based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 4. Biomaterials

December 12, 2009
Author(s)
Robert D. Chirico, Michael D. Frenkel, Vladimir Diky, Robert N. Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R. Goodwin, Kenneth N. Marsh, William A. Wakeham
ThermoML is an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of properties of biomaterials are described. The

ThermoData Engine (TDE) Version 2E-2009

September 15, 2009
Author(s)
Preston Craig, Robert D. Chirico, Vladimir Diky, Ilmutdin Abdulagatov, Thomas J. Bruno, Michael D. Frenkel
ThermoData Engine (TDE) Version 2E-2009 is a software expert system for critical evaluation of thermophysical properties of selected explosive materials through implementation of dynamic data evaluation. There are 62 compounds in version 2E-2009. The

Clathrate Hydrate Physical Property Database

September 8, 2009
Author(s)
Kenneth G. Kroenlein, Chris D. Muzny, Andrei F. Kazakov, Vladimir Diky, Robert D. Chirico, E. D. Sloan, Michael D. Frenkel
To facilitate advances in application of technologies pertaining to gas hydrates, a database containing experimentally-derived information about those materials has been developed. This work is being done in association with an international effort on the

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

ThermoData Engine (TDE) version 3.0 (Pure Compounds, EOS, and Binary Mixtures)

December 31, 2008
Author(s)
Michael D. Frenkel, Robert D. Chirico, Chris Muzny, Andrei F. Kazakov, Eric Lemmon, Vladimir Diky
TheroData Engine (version 3.0) is expert-system software that implements the dynamic data evaluation concept for binary mixtures of molecular compounds. Evaluation of some reaction properties is also included.

Guided Data Capture (GDC) Software

October 16, 2008
Author(s)
Vladimir Diky, Robert D. Chirico, R C. Wilhoit, Qian Dong, Michael D. Frenkel
The program provides software tools to ease capture (compilation) of experimental thermodynamic and transport property data from the literature for pure compounds, binary and ternary mixtures, and chemical reactions (including change-of-state and