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Search Publications by: Ala Bazyleva (Fed)

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Displaying 1 - 25 of 25

Refrigerant Properties Development R&D: Final Report to U.S. Department of Energy on Interagency Agreements 892434-19-S-EE000031 and 892434-23-S-EE000120

March 31, 2025
Author(s)
Mark McLinden, Katrina Avery, Ala Bazyleva, Ian Bell, Tara Fortin, Marcia Huber, Andrei Kazakov, Eric Lemmon, Stephanie Outcalt, Richard Perkins, Elizabeth Rasmussen, Demian Riccardi, Aaron Rowane
The HVAC&R industry is facing the challenge of phasing down the use of the HFC (hydrofluoro-carbon) refrigerants. New energy-efficient refrigerants are required, and accurate property data for them are needed to design and operate new HVAC equipment using

Composing Homologous Series on Demand

May 25, 2024
Author(s)
Vladimir Diky, Ala Bazyleva, Andrei F. Kazakov, Angela Li
Compound families or homologous series are frequently used for analysis and prediction of properties of chemical substances. A simple method is proposed for automated composing of such series.

Thermochemical study of 2-adamantanone

July 24, 2023
Author(s)
Ala Bazyleva, Dzmitry Zaitsau, Gennady J. Kabo
The results of a thermochemical study of the standard molar enthalpy of combustion of 2-adamantanone in the crystalline phase state by isoperibol combustion calorimetry are presented. Two different approaches of combustion-calorimetry data processing (one

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

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

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

Survey of Data and Models for Refrigerant Mixtures Containing Halogenated Olefins

June 1, 2021
Author(s)
Ian Bell, Demian Riccardi, Ala Bazyleva, Mark O. McLinden
We survey existing data for refrigerant blends containing halogenated olefins (hydrofluoroolefins (HFO), hydrochlorofluoroolefins (HCFO), and hydrochloroolefins (HCO)) in the open literature. The data are primarily taken from the NIST SOURCE database and

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

Heat capacity and decomposition of rimantadine hydrochloride

January 30, 2020
Author(s)
Ala Bazyleva, Yauheni Paulechka, Dzmitry H. Zaitsau, Andrey V. Blokhin, Gennady J. Kabo
Heat capacities of antiviral drug rimantadine hydrochloride in the crystalline state were measured by adiabatic calorimetry and differential scanning calorimetry in the temperature range from (7 to 453) K. A broad low-enthalpy solid-state phase anomaly was

Application of the group contribution volume translated Peng-Robinson equation of state to new commercial refrigerant mixtures

April 29, 2019
Author(s)
Ian H. Bell, Jonathan Welliquet, Maria Mondejar, Sylvain Quoilin, Ala Bazyleva, Frederik Haglind
The search of new refrigerants complying with the most recent environmental regulations must be supported by the availability of simple and reliable models for the prediction of their thermophysical behavior, both as pure substances and as mixtures. Cubic

Polymorphism and thermophysical properties of L- and DL-menthol

November 5, 2018
Author(s)
Vojtech Stejfa, Ala Bazyleva, Michal Fulem, Jan Rohlicek, Eliska Skorepova, Kvetoslav Ruzicka, Andrey V. Blokhin
The thermodynamic properties, phase behavior, and kinetics of polymorph transformations of racemic (DL-) and enantiopure (L-) menthol were studied using a combination of advanced experimental techniques, including static vapor pressure measurements

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

Data Quality and Assessment, Validation Methods and Error Propagation through the Simulation Software: Report from the Round-Table Discussion at the 10th World Congress of Chemical Engineering in Barcelona (October 1-5, 2017)

September 7, 2018
Author(s)
Paul M. Mathias, Ana Soto, Ljudmila Fele-Zilnik, Jean-Charles de Hemptinne, Ala Bazyleva, Jens Abildskov
The issues of data quality and propagation of data uncertainties into process design and plant uncertainties are of great current interest, and hence two Working Parties of the European Federation of Chemical Engineers (EFCE) organized a Round Table

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

Thermodynamics of antiviral and antiparkinsonian drug amantadine hydrochloride: condensed state properties and decomposition

May 1, 2017
Author(s)
Ala Bazyleva, Andrey V. Blokhin, Dzmitry H. Zaitsau, Gennady J. Kabo, Yauheni Paulechka, Andrei F. Kazakov, John M. Shaw
Heat capacities of antiviral and antiparkinsonian drug amantadine hydrochloride in the crystalline state were measured by adiabatic and differential scanning calorimetry in the temperature range from (5 to 470) K. Two unresolved low-enthalpy solid-to-solid

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

Comprehensive Study of the Thermodynamic Properties for 2-Methyl-3-buten-2-ol

July 29, 2015
Author(s)
Dzmitry H. Zaitsau, Eugene Paulechka, Dzmitry S. Firaha, Andrey V. Blokhin, Gennady J. Kabo, Ala Bazyleva, Andrey G. Kabo, Mikhail A. Varfolomeev, Viktor M. Sevruk
The heat capacity of 2-methyl-3-buten-2-ol over the interval (5 to 370) K was measured in an adiabatic calorimeter. The standard entropy and heat capacity of liquid phase at reference temperature 298.15 K were found to be Som = (232.6 ± 1.0) J·K-1·mol-1