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.

Physics

Thermodynamics

Search Publications

Search Title, Abstract, Conference, Citation, Keyword or Author
  • Published Date
Displaying 576 - 600 of 830

The Decomposition and Isomerization of 5-Methylhex-1-yl Radical

July 9, 2010
Author(s)
Iftikhar A. Awan, William S. McGivern, Wing Tsang, Jeffrey A. Manion
The decomposition and isomerization reactions of the 5-methylhex-1-yl radical (1-5MeH) have been studied at temperatures of 889 K to 1064 K and pressures of 1.6 bar to 2.2 bar using the single pulse shock tube technique. The radical of interest was

Quality Assessment Algorithm for Vapor-Liquid Equilibrium Data

July 6, 2010
Author(s)
Jeongwon Kang, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris D. Muzny, Ilmutdin M. Abdulagatov, Andrei F. Kazakov, Michael D. Frenkel
A quality assessment algorithm for vapor-liquid equilibrium (VLE) data has been developed. The proposed algorithm combines four widely used tests of VLE consistency based on the requirements of the Gibbs-Duhem equation with a check of consistency between

IUPAC-NIST Solubility Data Series

June 7, 2010
Author(s)
Allan H. Harvey, Mark Salomon
This is an editorial highlighting the IUPAC-NIST Solubility Data Series, which is published in JPCRD and produced by the IUPAC Subcommittee on Solubility and Equilibrium Data

ThermoData Engine (TDE) Version 5.0 (Pure compounds, Equations of State, Binary mixtures, and Chemical Reactions)

June 7, 2010
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris D. Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Jeongwon Kang
ThermoData Engine (TDE) is the first and only full-scale software implementation of the dynamic data evaluation concept. The software provides critically evaluated thermochemical and thermophysical property values for pure compounds, binary mixtures, and

Estimation of the Enhancement Factor for Mercury in Air

March 31, 2010
Author(s)
Allan H. Harvey
A combination of classical thermodynamics and molecular theory was used to calculate the enhancement factor (ratio of partial pressure to saturated vapor pressure) for liquid mercury in equilibrium with air at standard atmospheric pressure in the

Molecular Simulation Study of Anisotropic Wetting

March 10, 2010
Author(s)
Eric M. Grzelak, Vincent K. Shen, Jeffrey R. Errington
We study anisotropic wetting in systems governed by Lennard-Jones interactions. Molecular simulation is used to obtain the macroscopic contact angle a fluid adopts on face-centered-, body-centered-, and simple-cubic lattices with the (100), (110), or (111)

ThermoML an XML-based Approach for Storage and Exchange of Experimental and Critically Evaluated Thermophysical and Thermochemical Property Data. 4. Biomaterials

December 12, 2009
Author(s)
Robert D. Chirico, Michael D. Frenkel, Vladimir Diky, Robert N. Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R. Goodwin, Kenneth N. Marsh, William A. Wakeham
ThermoML is an XML-based approach for storage and exchange of experimental and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of properties of biomaterials are described. The
Was this page helpful?