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Chemistry

Thermochemical properties

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Displaying 51 - 75 of 402

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

3D printed ABS-MOF composite materials and their gas storage properties

March 19, 2018
Author(s)
Michael Bible, Makfir Sefa, Julia Scherschligt, Zeeshan Ahmed, James A. Fedchak, Hartings Mathew
Metal organic framework materials (MOFs) have been primarily recognized for their ability to promote selective storage of gas molecules. In their as-synthesized (powdered) form, MOFs are not easily processed for use in end-devices where their properties

Compressed-liquid Density Measurements of Four Polyol Ester-Based Lubricants

March 6, 2018
Author(s)
Stephanie L. Outcalt
A vibrating-tube densimeter has been used to measure compressed-liquid densities of the fluids pentaerythritol tetrapentanoate (PEC5), pentaerythritol tetraheptanoate (PEC7), pentaerythritol tetranonanoate (PEC9), and a commercial lubricant, Royco 899 from

Quantum for Pressure

January 5, 2018
Author(s)
Jay H. Hendricks, Patrick F. Egan, Jacob E. Ricker, Jack A. Stone Jr., Kevin O. Douglass, Gregory F. Strouse
A team of NIST scientists is working to fundamentally change the way that the unit of pressure is realized and disseminated, an effort that will lead to the elimination of mercury barometer pressure standards.

Reference correlations for the thermal conductivity of copper, gallium, indium, iron, lead, nickel and tin

November 12, 2017
Author(s)
Marc J. Assael, Arsenios Chatzimichailidis, K.D. Antoniadis, William A. Wakeham, Marcia L. Huber, Hiroyuki Fukuyama
The available experimental data for the thermal conductivity of liquid copper, gallium, indium, iron, lead, nickel and tin have been critically examined with the intention of establishing thermal conductivity reference correlations. All experimental data

Internal Pressure and Internal Energy of Saturated and Compressed Phases

September 12, 2017
Author(s)
Joe W. Magee, Ilmutdin Abdulagatov, Nikolai Polikhronidi, Rabiyat Batyrova
Following a critical review of the field, a comprehensive analysis is provided of the internal pressure of fluids and fluid mixtures and its determination in a wide range of temperatures and pressures. Further, the physical meaning is discussed of the

Yang-Yang Critical Anomaly

September 12, 2017
Author(s)
Joe W. Magee, Ilmutdin Abdulagatov, Nikolai Polikhronidi, Rabiyat Batyrova
Following a critical review of related research, a method is described to evaluate the Yang-Yang critical anomaly strength function, , from experimental measurements of two-phase liquid ( ) and vapor ( ) isochoric heat capacities and liquid ( ) and vapor (
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