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Displaying 426 - 450 of 830

ThermoData Engine (TDE) Version 9.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions); NIST Standard Reference Database 103b

December 31, 2014
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Kenneth Kroenlein, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Eric Lemmon, Jeongwon Kang
The ThermoData Engine is a software expert systems implementing the concept of dynamic data evaluation. This new release includes implementation of three important new features: (1)new parameters for the NIST "modified UNIFAC" method for predictions of

An Equation of State for the Thermodynamic Properties of Cyclohexane

December 5, 2014
Author(s)
Yong Zhou, Jun Liu, Steven Penoncello, Eric Lemmon
In this work, an equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state that

A thermodynamic investigation of the cellulose allomorphs: cellulose(am), cellulose I?(cr), cellulose II(cr), and cellulose III(cr)

November 11, 2014
Author(s)
Robert N. Goldberg, Jacob Schliesser, Ashutosh Mittal, Stephen R. Decker, Ana Filipa L. Santos, Vera L. Freitas, Aaron A. Urbas, Brian E. Lang, Christian Heisse, Maria D. Ribeiro da Silva, Brian F. Woodfield, Rui Katahira, Wei Wang, David K. Johnson
The thermochemistry of samples of amorphous cellulose, cellulose I, cellulose II, and cellulose III was studied by using oxygen bomb calorimetry, solution calorimetry in which the solvent was cadoxen, and with a Physical Property Measurement System (PPMS)

Modeling RP-1 fuel advanced distillation data using comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry and partial least squares analysis

October 15, 2014
Author(s)
Thomas J. Bruno, Benjamin Kehimkar, Brendon Parsons, Jamin C. Hoggard, M. C. Billingsley, R. E. Synovec
Recent efforts in predicting rocket propulsion (RP-1) fuel performance through modeling put greater emphasis on obtaining detailed and accurate fuel properties, as well as to elucidate the relationships between fuel composition and their properties. Herein

Fully Quantum Cross Second Virial Coefficients for the Three-Dimensional He-H2 Pair

September 21, 2014
Author(s)
Giovanni Garberoglio, Konrad Patkowski, Allan H. Harvey
We use a recent high-accuracy three-dimensional potential to compute the cross second virial coefficient B12(T) between helium and molecular hydrogen. The path-integral method used in this work fully accounts for both the flexibility of the hydrogen

In Search of Better Pressure Standards

August 1, 2014
Author(s)
Jay H. Hendricks, Jacob E. Ricker, Patrick F. Egan, Gregory F. Strouse
Based on highly accurate optical interferometry and fundamental quantum calculations, researchers at the National Institute of Standards and Technology (NIST) in the US are developing an improved definition of the SI unit for pressure that will consign the
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