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Physics

Thermodynamics

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Displaying 326 - 350 of 827

Molecular Dynamics Simulation of Trimer Self-Assembly Under Shear

March 6, 2017
Author(s)
Raymond D. Mountain, Harold Hatch, Vincent K. Shen
The self-assembly of patchy trimer particles with one attractive bead and two repulsive beads is investigated with nonequilibrium molecular dynamics simulations in the presence of a velocity gradient, as would be produced by the application of a shear

Duality of Dislocation Content of Grain Boundaries

February 19, 2017
Author(s)
John W. Cahn, Yuri Mishin, A Suzuki
The Frank-Bilby equation (FBE) can give many solutions for the dislocation content of a grain boundary (GB); most of them are considered to have little physical reality except in limited ranges of the angles which characterize low-angle GBs. We explore two

Limited options for low-global-warming-potential refrigerants

February 17, 2017
Author(s)
Mark O. McLinden, J S. Brown, Riccardo Brignoli, Andrei F. Kazakov, Piotr A. Domanski
Hydrofluorocarbons, currently used as refrigerants in air-conditioning systems, are potent greenhouse gases, and their contribution to climate change is projected to increase. Future use of the hydrofluorocarbons will be phased down and, thus, replacement

All-Dimensional H2-CO Potential: Validation with Fully Quantum Second Virial Coefficients

February 3, 2017
Author(s)
Giovanni Garberoglio, Piotr Jankowski, Krzysztof Szalewicz, Allan H. Harvey
We use a new high-accuracy all-dimensional potential to compute the cross second virial coefficient B12(T) between molecular hydrogen and carbon monoxide. The path-integral method is used to fully account for quantum effects. Values are calculated from 10

Uncertainty Assessment of Equations of State Applied to Organic Rankine Cycles

January 27, 2017
Author(s)
Ian H. Bell, Kenneth G. Kroenlein, John P. O'Connell, Jens Abildskov, Jerome Frutiger, Gurkan Sin
This study presents a generic method to analyze and select equations of state (EoS) based on detailed uncertainty analysis of the respective EoS property parameters. A Cubic EoS (i.e. Soave-Redlich-Kwong SRK) is compared to PC-SAFT EoS. The uncertainty

The Use of Antioxidants to Improve Vapor Pressure Measurements on Compounds with Oxidative Instability: Methyl Oleate with tert-Butylhydroquinone

December 19, 2016
Author(s)
Jason A. Widegren, Casey E. Beall, Audrey E. Tolbert, Tara M. Lovestead, Thomas J. Bruno
The vapor pressure (psat) of methyl oleate was measured with and without the addition of 0.2 mass % of the antioxidant stabilizer tert-butylhydroquinone (TBHQ). The measurements were made by the gas saturation method in the temperature range (303.15 to 343

Modulus--Pressure Equation for Confined Fluids

October 28, 2016
Author(s)
Daniel W. Siderius, Gennady Y. Gor, Vincent K. Shen, Noam Bernstein
Ultrasonic experiments allow one to measure the elastic modulus of bulk solid or fluid samples. Recently such experiments have been carried out on fluid-saturated nanoporous glass to probe the modulus of a confined fluid. In our previous work (J. Chem

Thermodynamic Properties and Similarity of Stacked-cup Multiwall Carbon Nanotubes and Graphite

September 29, 2016
Author(s)
Yauheni Paulechka, Gennady J. Kabo, Andrey V. Blokhin, Olga Voitkevich, Tatsiana Liavitskaya, Andrey G. Kabo
Heat capacity of stacked-cup multiwalled carbon nanotubes (CNT) was measured in an adiabatic calorimeter over the temperature range (5 to 370) K. Results are compared with literature data on various samples of CNT and other carbon allotropes. The