U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Chemistry

Thermochemical properties

Search Publications

Search Title, Abstract, Conference, Citation, Keyword or Author
Published Date
Displaying 51 - 75 of 411

Thermophysical Properties of Polyol Ester Lubricants

August 20, 2019
Author(s)
Thomas J. Bruno, Tara Fortin, Marcia L. Huber, Arno D. Laesecke, Eric Lemmon, Elisabeth Mansfield, Mark O. McLinden, Stephanie L. Outcalt, Richard A. Perkins, Kimberly N. Urness, Jason A. Widegren
This report summarizes the results of work performed for the Naval Air Warfare Center Aircraft Division by the National Institute of Standards and Technology (NIST), Applied Chemicals and Materials Division on the properties of polyol ester lubricants

The hunt for refrigerant blends to replace R-134a

August 1, 2019
Author(s)
Ian H. Bell, Piotr A. Domanski, Gregory T. Linteris, Mark O. McLinden
We investigated refrigerant blends as possible low GWP (global warming potential) alternatives for R-134a in an air-conditioning application. We carried out an extensive screening of the binary, ternary, and four-component blends possible among a list of

Miniaturized Nanohole Array Based Plasmonic Sensor for the Detection of Acetone and Ethanol with Insights into the Kinetics of Adsorptive Plasmonic Sensing

June 6, 2019
Author(s)
Yangyang Zhao, Kalisadhan Mukherjee, Kurt D. Benkstein, Libin Sun, Kristen L. Steffens, Christopher B. Montgomery, Stephen Semancik, Mona Zaghloul
The present work demonstrates development of a miniaturized plasmonic platform comprised of a Au nanohole array (NHA) on a Si/Si3N4 substrate. Plasmonic responses of the NHA platform, which is coated with Cu-benzenetricarboxylate metal organic framework

Diaphragmless Single Pulse Shock Tube for High-Temperature Chemical Kinetics Studies

June 3, 2019
Author(s)
William Sean McGivern, Iftikhar A. Awan, Jeffrey A. Manion
Single pulse shock tubes are effective tools for measuring chemical kinetics at high temperatures, typically (900–1400) K. However, the use of a diaphragm for shock generation leads to significant shock-to- shock inconsistencies in temperature for a

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

Ligand-based stability changes in duplex DNA measured with a microscale electrochemical platform

April 12, 2019
Author(s)
Sarah M. Robinson, Zuliang Shen, Jon R. Askim, Christopher B. Montgomery, Herman O. Sintim, Stephen Semancik
Development of technologies for rapidly screening the thermal stability of DNA secondary structures and the effects on stability for binding of small molecule drugs is important to the drug discovery process. In this report, we describe the capabilities of

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

Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations

October 27, 2018
Author(s)
Alan Grossfield, Paul Patrone, Daniel R. Roe, Andrew J. Schultz, Daniel Siderius, Daniel M. Zuckerman
The quantitative assessment of uncertainty and sampling quality is essential in molecular simulation. Many systems of interest are highly complex, often at the edge of current computational capabilities. Modelers must therefore analyze and communicate

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

Density and Speed of Sound Measurements of Surrogate Diesel Fuels

August 30, 2018
Author(s)
Tara Fortin
The densities and speeds of sound of four surrogate diesel fuels of varying compositional accuracy were measured at atmospheric pressure over the combined temperature range 278.15 K to 343.15 K. Measurement results for the surrogate fuels were compared to

Recent Developments in Surface Science and Engineering, Thin Films, Nanoscience, Biomaterials, Plasma Science, and Vacuum Technology

May 31, 2018
Author(s)
Miran Mozetic, Alenka Vesel, Gregor Primc, J. Bauer, A. Eder, G. H. S. Schmid, David Ruzic, Zeeshan Ahmed, Daniel Barker, Kevin O. Douglass, Stephen Eckel, James A. Fedchak, Jay H. Hendricks, Nikolai Klimov, Jacob Edmond Ricker, Julia Scherschligt, Jack A. Stone Jr., Gregory F. Strouse, I. Capan, M Buljan, S. Milosevic, C Teichert, S R. Cohen, A G. Silva, M Lehocky, P Humpolicek, C Rodriguez, J Hernandez-Montelongo, E Punzon-Quijorna, D Mercier, M Manso-Silvan, G Ceccone, A Galtayries, K Stana-Kleinschek, I Petrov, J E. Greene, J Avila, C Y. Chen, B Caja, H Yi, A Boury, S Lorcy, M C. Asensio, T Gans, D O?Connell, F Reniers, A Vincze, M Anderle
Nanometer-sized structures, surfaces and sub-surface phenomena have played an enormous role in science and technological applications and represent a driving-force of current interdisciplinary science. Recent developments include the atomic-scale

The Ninth Industrial Fluid Properties Simulation Challenge

May 1, 2018
Author(s)
Jonathan D. Moore, Raymond D. Mountain, Richard B. Ross, Vincent K. Shen, Daniel Siderius, Kenneth D. Smith
The Ninth Industrial Fluid Properties Simulation Challenge aimed to test the ability of molecular modeling approaches to predict water/oil interfacial tension (IFT) at conditions of high temperature and pressure. In particular, the challenge featured water

Influence of Ion Solvation on the Properties of Electrolyte Solutions

April 3, 2018
Author(s)
Marat Andreev, Juan J. DePablo, Alexandros Chremos, Jack F. Douglas
It is widely appreciated that the addition of salts to water leads to significant changes in the thermodynamic and dynamic properties of these aqueous solutions, which have great significance in biology and manufacturing applications. However, no
Was this page helpful?