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Chemistry

Thermochemical properties

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Displaying 326 - 350 of 403

Properties of a 50/50 Mixture of Jet-A + S-8

March 14, 2007
Author(s)
Thomas J. Bruno, Arno D. Laesecke, Stephanie L. Outcalt, Hans-Dieter Seelig, Beverly L. Smith
This report describes measurement efforts performed on the mixture of aviation fuels: Jet-A + S-8*. The primary mixture is a 50/50 (vol/vol) combination of the two fuels. Measurements include chemical analysis, density, viscosity, speed of sound and vapor

Intermolecular potential and second virial coefficient of the water-nitrogen complex

March 6, 2007
Author(s)
Allan H. Harvey, Akyl S. Tulegenov, Richard J. Wheatley, Matthew P. Hodges
We construct a rigid-body (five-dimensional) potential-energy surface for the water-nitrogen complex using the systematic intermolecular potential extrapolation routine (SIMPER). The intermolecular potential is then extrapolated to the limit of a complete

New Global Communication Process in Thermodynamics: Impact on Quality of Published Experimental Data

October 11, 2006
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris D. Muzny, Qian Dong, K N. Marsh, John H. Dymond, William A. Wakeham, Stephen E. Stein, Erich Koenigsberger, Anthony R. Goodwin, Joe W. Magee, Michiel Thijssen, William M. Haynes, Suphat Watanasiri, Marco Satyro, Martin Schmidt, Andrew I. Johns, Gary R. Hardin
Thermodynamic data often represent a key resource in the search for new relationships between properties of chemical systems that constitutes the basis of the scientific discovery process. In addition, thermodynamic information is critical for development

Ionic Liquids Database (ILThermo)

July 23, 2006
Author(s)
Qian Dong, Andrei F. Kazakov, Chris D. Muzny, Robert D. Chirico, Jason A. Widegren, Vladimir Diky, Joe W. Magee, Kenneth N. Marsh, Michael D. Frenkel
Ionic Liquids Database (ILThermo)is a free web research tool that allow users worldwide to access an up-to-data data collection from the publications on experimental studies of thermodynamic and transport properties of ionic liquids, as well as binary and

Supplementary Backward Equations for Pressure as a Function of Enthalpy and Entropy p(h,s) to the Industrial Formulation IAPWS-IF97 for Water and Steam

July 11, 2006
Author(s)
H J. Kretzschmar, J Cooper, A Dittmann, J Trubenbach, Th Willkommen, Daniel G. Friend, J S. Gallagher, Radim Mares, Kiyoshi Miyagawa, Wolfgang Wagner, K Knobloch, I. Stocker
In 2001, the International Association for the Properties of Water and Steam (IAPWS) adopted backward equations for pressure as a function of enthalpy and entropy p(h, s) as supplement to the IAPWS Industrial Formulation 1997 for the Termodynamic

XML-BASED IUPAC STANDARD FOR EXPERIMENTAL, PREDICTED, AND CRITICALLY EVALUATED THERMODYNAMIC PROPERTY DATA STORAGE AND CAPTURE (ThermoML): IUPAC Recommendations 2005

May 1, 2006
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Qian Dong, Kenneth N. Marsh, John H. Dymond, William A. Wakeham, Stephen E. Stein, Erich Koenigsberger, Anthony R. Goodwin
ThermoML is an XML-based emerging IUPAC standard for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. The basic principles, scope, and description of all structural elements of

Multiparameter Equations of State for Selected Siloxanes

April 25, 2006
Author(s)
P. Colonna, R. Nannan, A. Guardone, Eric Lemmon
The development of technical equations of state using the 12-parameter Span-Wagner functional form for four siloxanes is presented in two parts. The fluids under investigation include hexamethyldisiloxane (MM), tetradecamethylhexasiloxane (MD4M)

Short Fundamental Equations of State for 20 Industrial Fluids

April 11, 2006
Author(s)
Eric W. Lemmon, Roland Span
In a preceding project, functional forms for "short" Helmholtz equations of state for typical non- and weakly polar fluids and for typical polar fluids were developed by simultaneous optimization. The coefficients of these equations of state were fitted to

Method and Apparatus for Precision In-Line Sampling of Distillate

February 26, 2006
Author(s)
Thomas J. Bruno
In this short note we present a method and a simple apparatus for use with simple, fractional and steam distillation operations in which the operator requires a precise measurement of instantaneous distillate composition as the distillation proceeds. There

The Distillation and Volatility of Ionic Liquids

February 15, 2006
Author(s)
Martyn J. Earle, Jose M. Esperanca, Manuela A. Gilea, Luis P. Rebelo, Kenneth R. Seddon, Joe W. Magee, Jason A. Widegren
The distillation of a variety of ionic liquids is demonstrated for the first time. The distillations are performed at moderate to high temperatures and at reduced pressure.

Effect of Dissolved Air on the Density and Refractive Index of Water

September 30, 2005
Author(s)
Allan H. Harvey, Simon G. Kaplan, John H. Burnett
We consider the effect of dissolved air on the density and the refractive index of liquid water from 0 ¿aC to 50 ¿aC. The density effect is calculated from the best available values of Henry's constants and partial molar volumes for the components of air

Method for Estimating the Dielectirc Constant of Natural Gas Mixtures

January 11, 2005
Author(s)
Allan H. Harvey, Eric W. Lemmon
A method is developed for calculating the static dielectric constant (relative permittivity) of fluid mixtures, with an emphasis on natural gas. The dielectric constant is calculated as a function of temperature, density, and composition; the density is

Method for estimating the dielectric constant of natural gas mixtures

January 11, 2005
Author(s)
Allan H. Harvey, Eric Lemmon
A method is developed for calculating the static dielectric constant (relative permittivity) of fluid mixtures, with an emphasis on natural gas. The dielectric constant is calculated as a function of temperature, density, and composition; the density is

Transport coefficients of the Lennard-Jones model fluid. III. Bulk viscosity

December 15, 2004
Author(s)
Karsten Meier, Arno D. Laesecke, Stephan Kabelac
In an extensive computer simulation study, the transport coefficients of the Lennard-Jones model fluid were determined with high accuracy from equilibrium molecular dynamics simulations. In the frame of time-correlation function theory, the generalized
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