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Physics

Thermodynamics

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Displaying 201 - 225 of 827

The role of molecular modeling & simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation

August 8, 2019
Author(s)
Arni Sturluson, Melanie Huynh, Alec Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E. Wilmer, Yamil J. Colon, Yongchul G. Chung, Daniel Siderius, Cory M. Simon
Metal-organic frameworks (MOFs) are highly tunable, extended-network, crystalline, nanoporous materials with applications in gas storage, separations, and sensing. We review how molecular models and simulations of gas adsorption in MOFs have lucidly

Molecular Calculation of the Critical Parameters of Classical Helium

July 2, 2019
Author(s)
Richard A. Messerly, Navneeth Gokul, Andrew J. Schultz, David A. Kofke, Allan H. Harvey
We compute the vapor-liquid critical coordinates of a model of helium in which nuclear quantum effects are absent. We employ highly accurate ab initio pair and three-body potentials and calculate the critical parameters rigorously in two ways. First, we

Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid

June 26, 2019
Author(s)
Ian H. Bell, Richard A. Messerly, Monika Thol, Lorenzo Costigliola, Jeppe Dyre
Separated by twenty-two years, Rosenfeld proposed two different scaling approaches to model the transport properties of fluids, one valid in the dilute gas, and another in the liquid phase. In this work, we demonstrate that these two limiting cases can be

VISCOSITY OF GASES

June 7, 2019
Author(s)
Marcia L. Huber
This is a chapter in CRC that contains tables with viscosity of gases

REFRACTIVE-INDEX GAS THERMOMETRY

April 18, 2019
Author(s)
Patrick Rourke, Christof Gaiser, Roberto M. Gavioso, Michael R. Moldover, Laurent Pitre, Robin Underwood
The principles and techniques of primary refractive-index gas thermometry (RIGT) are reviewed. Absolute primary RIGT using microwave measurements of helium-filled quasi-spherical resonators has been implemented at the temperatures of the triple points of

Designing Molecular Building Blocks for the Self-assembly of Complex Porous Networks

March 19, 2019
Author(s)
Tiara A. Maula, Harold Hatch, Vincent K. Shen, Rangarajan Srinivas, Jeetain Mittal
Molecular building blocks which self-assemble into large ordered porous networks have been long sought-after, and have led to the development of metal organic frameworks and covalent organic frameworks. However, despite the great potential possessed by

Reference Correlations for the Viscosity of 13 Inorganic Molten Salts

March 12, 2019
Author(s)
K.A. Tasidou, Ch. D. Chliatzou, Marc J. Assael, K.D. Antoniadis, Sofia K. Mylona, Marcia L. Huber, William A. Wakeham
In 1988, reference correlations for the viscosity of a selection of molten inorganic salts were proposed by Janz and have been used extensively. During the last 31 years, many additional measurements have been published. In a very recent paper, new