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Search Publications by: Andrei F Kazakov (Fed)

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Displaying 51 - 75 of 80

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

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 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

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

Thermodynamic properties of three-ring aza-aromatics: 1. Experimental results for phenazine and acridine, and mutual validation of experiments and computational methods

November 18, 2009
Author(s)
Robert D. Chirico, Andrei F. Kazakov, William V. Steele
Measurements leading to the calculation of thermodynamic properties for phenazine (Chemical Abstracts registry number [92-82-0]) in the ideal-gas state are reported. Experimental methods included adiabatic heat-capacity calorimetry, inclined-piston

Thermodynamic properties of three-ring aza-aromatics.2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods

November 18, 2009
Author(s)
Robert D. Chirico, Andrei F. Kazakov, William V. Steele
Measurements leading to the calculation of standard entropies for 1,10-phenanthroline (Chemical Abstracts registry number [66-71-7]) in the crystal, liquid, and ideal-gas state are reported. Experimental methods were adiabatic heat-capacity calorimetry and

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

Model for Thermodynamic Properties of a Biodiesel Fuel

June 12, 2009
Author(s)
Marcia L. Huber, Eric W. Lemmon, Andrei F. Kazakov, Lisa S. Ott, Thomas J. Bruno
We present an equation-of-state approach to modeling the thermodynamic properties of a biodiesel fuel. Preliminary Helmholtz-type equations of state were developed with limited experimental data for five fatty acid methyl esters (FAMEs) that are primary

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.

STANDARDIZATION AND SOFTWARE INFRASTRUCTURE FOR GAS HYDRATE DATA COMMUNICATIONS

July 28, 2008
Author(s)
Kenneth G. Kroenlein, Ralf Loewner, Willa Wang, Vladimir Diky, Thomas Smith, Chris D. Muzny, Robert D. Chirico, Andrei F. Kazakov, E. D. Sloan, Michael D. Frenkel
Gas Hydrates Markup Language (GHML) has been under development since 2003 by CODATA Task Group Data for Natural Gas Hydrates as an international standard for data storage and transfer in the gas hydrates community. We will describe the final development of