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Search Publications by: Robert D Chirico (Assoc)

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Displaying 1 - 25 of 94

Uncertainty

February 1, 2023
Author(s)
Robert D. Chirico, Eugene Paulechka, Vladimir Diky, Ala Bazyleva
N/A

Possible Precursors and Products of Deep Hydrodesulfurization of Gasoline and DistillateFules III. The Thermodynamic Properties of 1,2,3,4-tetrahydrodibenzothiphene

October 12, 2021
Author(s)
W V. Steele, Robert D. Chirico, A B. Cowell, Anh D. Nguyen, S E. Knipmeyer
Measurements leading to the calculation of the standard thermydynamic properties for gaseous 1,2,3,4-tetrahydrodibenzothiophene (Chemical Sbstracts registry number [16587-33-0]) are reported. Experimental methods include combustion calorimetry, adiabatic

The Thermodynamic Properties of 2,3-Dihydrobenzo[b]thiophene

October 12, 2021
Author(s)
W V. Steele, Robert D. Chirico, Anh D. Nguyen, S E. Knipmeyer
Measurements leading to the calculation of the standard thermodynamic properties for gaseous 2,3-dihydrobenzo[b]thiophene (ChemicalAbstracts registry number [4565-32-61]) are reported. Experimental methods included combustion calorimetry, adiabatic heat

Reference Materials for Phase Equilibrium Studies. 1. Liquid-Liquid Equilibria (IUPAC Technical Report)

July 8, 2021
Author(s)
Ala Bazyleva, William E. Acree, Jr., Robert D. Chirico, Vladimir Diky, Glenn T. Hefter, Johan Jacquemin, Joe W. Magee, John P. O'Connell, James D. Olson, Ilya Polishuk, Kurt Schmidt, John M. Shaw, J. P. M. Trusler, Ronald D. Weir
This article is the first of three projected IUPAC Technical Reports resulting from IUPAC Project 2011-037-2-100 (Reference Materials for Phase Equilibrium Studies). The goal of that project was to select reference systems with critically evaluated

ThermoData Engine (TDE) Version 10.2 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

August 31, 2017
Author(s)
Vladimir Diky, Chris D. Muzny, Alexander Y. Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Yauheni Paulechka, Andrei F. Kazakov, Scott A. Townsend, Eric W. Lemmon, Michael D. Frenkel, Kenneth G. Kroenlein
The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of

Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry

June 14, 2017
Author(s)
Robert D. Chirico, Andrei F. Kazakov, Ala Bazyleva, Vladimir Diky, Kenneth Kroenlein, Vladimir N. Emel'yanenko, Sergey P. Verevkin
Thermodynamic properties of the twelve monohalobenzoic acids are critically evaluated through application of computational chemistry methods for the ideal-gas phase and thermodynamic consistency assessment of properties determined experimentally and

Data Resources for Thermophysical Properties of Metals and Alloys, Part 1: Structured Data Capture from the Archival Literature

January 7, 2017
Author(s)
Boris Wilthan, Erik A. Pfeif, Vladimir Diky, Robert D. Chirico, Ursula R. Kattner, Kenneth G. Kroenlein
In support of the continuous scientific and industrial need for accessible and high-quality thermophysical property data for metals and alloy systems, NIST/TRC is expanding its data archiving and critical evaluation activities to include this area. As part

ThermoData Engine (TDE) Version 10.1 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

July 14, 2016
Author(s)
Vladimir Diky, Chris D. Muzny, Alexander Y. Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Yauheni Paulechka, Andrei F. Kazakov, Scott A. Townsend, Eric W. Lemmon, Michael D. Frenkel, Kenneth G. Kroenlein
The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of

ThermoData Engine (TDE) Version 10 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

December 31, 2015
Author(s)
Vladimir Diky, Chris Muzny, Alexander Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Eugene Paulechka, Andrei F. Kazakov, Scott Townsend, Eric Lemmon, Michael D. Frenkel, Kenneth Kroenlein
The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of

ThermoData Engine (TDE) Version 9.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions); NIST Standard Reference Database 103b

December 31, 2014
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Kenneth Kroenlein, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Eric Lemmon, Jeongwon Kang
The ThermoData Engine is a software expert systems implementing the concept of dynamic data evaluation. This new release includes implementation of three important new features: (1)new parameters for the NIST "modified UNIFAC" method for predictions of

Algorithmic Framework for Quality Assessment of Phase Equilibrium Data

June 3, 2014
Author(s)
Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Michael D. Frenkel, Jeongwon J. Kang
Data quality assessment procedures for various types of phase equilibrium data are reviewed and analyzed. Experimental data for vapor-liquid equilibrium (VLE), liquid-liquid equilibrium (LLE), solid-liquid equilibrium (SLE), infinite dilution activity

Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene

January 18, 2014
Author(s)
Robert D. Chirico, Andrei F. Kazakov, William V. Steele
Measurements leading to the calculation of thermodynamic properties in the ideal-gas state for 1- phenylnaphthalene (Chemical Abstracts registry number [605-02-7]) and 2-phenylnaphthalene (Chemical Abstracts registry number [612-94-2]) are reported

ThermoData Engine (TDE) Version 8.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions); NIST Standard Reference Database 103b

December 31, 2013
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Kenneth Kroenlein, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Eric Lemmon
The ThermoData Engine is a software expert systems implementing the concept of dynamic data evaluation. This new release includes four important new features. (1) Implementation of the Peng-Robinson EOS for mixtures. (2) Evaluation of ideal-gas entropies

Ionic Liquids Database - ILThermo (v2.0)

December 16, 2013
Author(s)
Andrei F. Kazakov, Joe W. Magee, Robert D. Chirico, Vladimir Diky, Kenneth G. Kroenlein, Chris D. Muzny, Michael D. Frenkel
ILThermo is a web-based ionic liquids database available free to the public. It aims to provide users worldwide with up-to-date information on publications of experimental investigation on ionic liquids, including numerical values of chemical and physical

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

New Group-Contribution Approach to Thermochemical Properties of Organic Compounds: Hydrocarbons and Oxygen-Containing Compounds

August 19, 2013
Author(s)
Michael D. Frenkel, Sergey P. Verevkin, V N. Emel'yanenko, Robert D. Chirico, Vladimir Diky, Chris D. Muzny
A new group-contribution approach involving systematic corrections for 1,4-non-bonded carbon-carbon and carbon-oxygen interactions has been proposed. Limits of the applicability of the method, associated with the highly branched structures, were

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