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Search Publications by: Vladimir Diky (Fed)

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Displaying 1 - 25 of 97

Assessment of a Parachor Model for the Surface Tension of Binary Mixtures

June 7, 2023
Author(s)
Alexandra Metallinou Log, Vladimir Diky, Marcia L. Huber
We constructed an experimental database for the surface tension of binary mixtures containing a wide variety of fluids, from the chemical classes (water, alcohols, amines, ketones, linear and branched alkanes, naphthenes, aromatics, refrigerants, and

6. THERMODYNAMIC PROPERTIES OF PURE GASES AND LIQUIDS

February 7, 2023
Author(s)
Vladimir Diky, Rich Elliott
Methods are presented in this chapter foremost for estimating the volumetric behavior of pure gases and liquids as a function of temperature and pressure. Relationships between P, V, and T are formally known as equations of state (EOSs).

7. THERMODYNAMIC PROPERTIES OF MIXTURES

February 7, 2023
Author(s)
Rich Elliott, Vladimir Diky
Methods are presented in this chapter to estimate the volumetric, enthalpic, and entropic properties and their derivatives for mixtures of gases and liquids as a function of temperature, pressure, and composition as expressed in mole, mass, or volume

CHAPTER NINE. SPECIALIZED PHASE BEHAVIOR IN MIXTURES

February 7, 2023
Author(s)
Vladimir Diky, Rich Elliott
Vapor liquid equilibrium (VLE) in mixtures is strongly influenced by the vapor pressures of the pure components, especially when one compound is highly concentrated. This means that the bubble pressure is relatively insensitive to infinite dilution

Properties of Gases and Liquids. Chapter 3. Pure-component constants

February 7, 2023
Author(s)
Vladimir Diky, Thomas Knotts, Vincent Wilding, Rich Elliott
The properties of pure components are important for all aspects of process design and optimization. Pure-component properties also underlie much of the observed behavior of mixtures. For example, property models intended for the whole range of composition

Uncertainty

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

Reference materials for phase equilibrium studies. 2. Solid-liquid equilibria (IUPAC Technical Report)

January 11, 2023
Author(s)
Ala Bazyleva, William E. Acree, Vladimir Diky, Glenn T. Hefter, Johan Jacquemin, M. Clara F. Magalhaes, Joe W. Magee, Kirk Nordstrom, John O'Connell, James D. Olson, Ilya Polishuk, Kurt A. G. Schmidt, John M. Shaw, J. P. Martin Trusler, Ronald D. Weir
This article is the second of three projected IUPAC Technical Reports on reference materials for phase equilibrium studies. The goal of this project was to select reference systems with critically evaluated property values for the verification of

An Overview of Ukrainian Thermophysics Research (1926 to 2022)

November 8, 2022
Author(s)
Vladimir Diky, Roman Zakusylo, Kostya Trachenko
We provide an overview of Ukrainian thermophysical research, its historical part and current state. The overview is supplemented by a database indexing thermophysical properties for molecular systems and alloys, as well as lists of scientific journals and

Report Experimental Data Effectively

October 1, 2022
Author(s)
John O'Connell, Vladimir Diky, Ala Bazyleva
Research, design, and simulation require reliable and accurate data. Use these principles and best practices for reporting experimental results.

Towards improved FAIRness of the ThermoML Archive

February 28, 2022
Author(s)
Demian Riccardi, Zachary Trautt, Ala Bazyleva, Eugene Paulechka, Vladimir Diky, Joe W. Magee, Andrei F. Kazakov, Scott Townsend, Chris Muzny
The ThermoML archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: Journal of Chemical Engineering and Data (ISSN: 0021-9568), The Journal of Chemical Thermodynamics (ISSN

Enthalpies of Formation of Dibutyl Phthalate and Methyl 4-Hydroxybenzoate

October 12, 2021
Author(s)
Yu V. Maksimuk, Kvetoslav Ruzicka, Vladimir Diky
Enthalpies of formulation of liquid dibutyl phthalate (DBP, -864.67+4.77 kJ*mol -1 ) and crystalline methyl 4-hydroxybenzoate (4-MHB, -562.20+2.29 kJ*mol -1 ) were determined by combustion calorimety. Relations of these values to the structures of the

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

Good reporting practice for thermophysical and thermochemical property measurements (IUPAC Technical Report)

April 16, 2021
Author(s)
Ala Bazyleva, Jens Abildskov, Andre Anderko, Olivier Baudouin, Yury Chernyak, Jean-Charles de Hemptinne, Vladimir Diky, Ralf Dohrn, J. R. Elliott, Johan Jacquemin, Jean-Noel Jaubert, Kevin Joback, Ursula Kattner, Georgios Kontogeorgis, Herbert Loria, Paul M. Mathias, John O'Connell, Wolffram Schroer, G. J. Smith, Ana Soto, Shu Wang, Ronald D. Weir
Scientific projects frequently involve measurements of thermophysical, thermochemical, and other related properties of chemical compounds and materials. These measured property data have significant potential value for the scientific community, but

Bubble Point Measurements of Neopentane + Ethane Mixtures

March 14, 2019
Author(s)
Elisabeth Mansfield, Vladimir Diky
Bubble point measurements have been taken on three compositions of neopentane + ethane systems. The results are modeled with a Peng-Robinson equation with symmetrical mixing rule and a Helmholtz-energy based 4-parameter model. Interaction parameters for

Thermodynamic Properties of Organic Substances: Experiment, Modeling, and Technological Applications

October 26, 2018
Author(s)
Gennady J. Kabo, Andrey V. Blokhin, Eugene Paulechka, Gennady N. Roganov, Michael D. Frenkel, Iosif A. Yursha, Vladimir Diky, Dzmitry H. Zaitsau, Ala Bazyleva, Vladimir V. Simirsky, Larisa Karpushenkava, Viktor M. Sevruk
In this review, results of the studies of thermodynamic properties of organic substances conducted at the Chemistry Department of the Belarusian State University (Minsk, Belarus) over a period of more than 50 years are summarized. Emphasis is made on

ThermoData Engine

June 21, 2018
Author(s)
Vladimir Diky, Chris D. Muzny, Kenneth G. Kroenlein, Eric W. Lemmon, Ian H. Bell, Andrei F. Kazakov, Yauheni Paulechka

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