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Chemistry

Chemical thermodynamics & chemical properties

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Displaying 26 - 50 of 284

The Magnetic Suspension Balance - 40 Years of Advancing Densimetry and Sorption Science Xiaoxian Yang1, Reiner Kleinrahm2, Mark O. McLinden3, Markus Richter1,

November 7, 2023
Author(s)
Xiaoxian Yang, Reiner Kleinrahm, Mark O. McLinden, Markus Richter
This paper reviews the 40-year evolution and application of the magnetic-suspension balance (MSB) and discusses some challenging issues of the technique. A MSB, as we define it here, is a magnetic-suspension coupling (MSC) connected with an analytical

Compressed liquid density and speed of sound measurements and correlation of the binary mixture Carbon dioxide (CO2) + 1,1-difluoroethene (R1132a)} at temperatures from 220 K to 350 K

August 25, 2023
Author(s)
Davide Menegazzo, Aaron Rowane, Laura Fedele, Sergio Bobbo, Giulia Lombardo, Mark O. McLinden
The blend of carbon dioxide and R1132a has been suggested as feasible alternative to R23 in low-temperature devices. In this work, we present a new set of experimental data for compressed-liquid density, vapour density and compressed-liquid speed of sound

An Equation of State for the Thermodynamic Properties of Helium

August 10, 2023
Author(s)
Diego Ortiz Vega, Kenneth Hall, James Holste, Allan H. Harvey, Eric W. Lemmon
This report documents the equation of state for fluid helium implemented in Version 10 of NIST's REFPROP Standard Reference Database. The equation of state is expressed as the molar Helmholtz energy as a function of temperature and density, and is valid

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

Entropy Scaling of Viscosity for Molecular Models of Molten Salts

January 9, 2023
Author(s)
Jeffrey Young, Ian Bell, Allan H. Harvey
Entropy scaling relates dynamic and thermodynamic properties by reducing the viscosity to be a function of only the residual entropy. Molecular simulations are used to investigate the entropy scaling of the viscosity of three models of sodium chloride and

MOFX-DB: An online database of computational adsorption data for nanoporous materials

January 4, 2023
Author(s)
N. S. Bobbitt, Kaihang Shi, Benjamin J. Bucior, Haoyuan Chen, Nathaniel Tracy-Amoroso, Zhao Li, Yangzesheng Sun, Julia Merlin, Joern Ilja Siepmann, Daniel Siderius, Randall Q. Snurr
Machine learning and data mining coupled with molecular modeling have become powerful tools for materials discovery. Metal-organic frameworks (MOFs) are a rich area for this due to their modular construction and numerous applications. Here, we make data

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.

Effect of network connectivity on behavior of synthetic Broborg Hillfort glasses

September 2, 2022
Author(s)
Jose Marcial, Maria Cicconi, Carolyn Pearce, Jaroslav Klouzek, James Neeway, Richard Pokorny, Miroslava Vernerova, John McCloy, Emily Nienhuis, Rolf Sjoblom, Jamie Weaver, Russell Hand, Pavel Hrma, Albert Kruger
There is wide industrial interest in developing robust models of long-term (>100years) glass durability. Archeological glass analogs, glasses of similar composition, and alteration conditions to those being tested for durability can be used to evaluate and

Speed of Sound Measurements of Binary Mixtures of Hydrofluorocarbons [Pentafluoroethane (R-125), 1,1-Difluoroethane (R-152a), or 1,1,1,2,3,3,3-Heptafluoropropane (R-227ea)] with Hydrofluoroolefins [2,3,3,3-Tetrafluoropropene (R-1234yf) or trans-1,3,3,3-Te

June 28, 2022
Author(s)
Aaron Rowane, Richard A. Perkins
Speed of sound data measured using a dual-path pulse-echo instrument are reported for three binary refrigerant mixtures, R-125/1234yf, R-1234yf/152a, and R-1234ze(E)/227ea, at compositions of (0.33/0.67) and (0.67/0.33) mole fraction. The speed of sound

Speed of Sound Measurements of Binary Mixtures of 1,1,1,2-Tetrafluoroethane (R-134a), 2,3,3,3-Tetrafluoropropene (R-1234yf), and trans-1,3,3,3-Tetrafluoropropene (R-1234ze(E)) Refrigerants

May 17, 2022
Author(s)
Aaron Rowane, Richard A. Perkins
Speed of sound data measured using a dual-path pulse-echo instrument are reported for binary mixtures of 1,1,1,2-tetrafluoroethane (R-134a), 2,3,3,3-tetrafluoropropene (R-1234yf), and trans-1,3,3,3-tetrafluoropropene (R-1234ze(E)). For each binary mixture

New Reference Equation of State for Carbon Dioxide

May 6, 2022
Author(s)
Allan Harvey, Eric Lemmon
For carbon dioxide, the current reference for thermodynamic properties is the equation of state (EOS) of Span and Wagner published in 1996. While the Span-Wagner EOS provides accurate properties at most conditions of industrial interest, some deficiencies

Absorption Spectra of Martian Dust Simulants

February 18, 2022
Author(s)
James Radney, Christopher D. Zangmeister
Understanding the climate of Mars requires a detailed understanding of the optical properties of Martian dust as it is a ubiquitous component of the atmosphere. The need for a consensus motivates measurements of terrestrial simulants under controlled
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