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Physics

Thermodynamics

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Displaying 276 - 300 of 444

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 8. Properties of Material Streams and Solvent Design

December 3, 2012
Author(s)
Vladimir Diky, Robert D. Chirico, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Joe W. Magee, Ilmutdin M. Abdulagatov, Carlos A. Diaz-Tovar, Jeong W. Kang, Rafiqul Gani, Michael D. Frenkel
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present paper describes the first application of this concept to the evaluation of thermophysical properties for

A consistent methodology to characterize BAW resonators

October 7, 2012
Author(s)
Eduard Rocas, Carlos Collado, Robert Aigner, Jordi Mateu, A Hueltes, James Booth
We present a methodology to characterize BAW resonators both linearly and nonlinearly. The procedure uses physical modeling along with measurements that exploit different manifestations of the nonlinear phenomena to identify the dominant linear and

Thermal Decomposition of 1-Pentyl Radicals at High Pressures and Temperatures

September 27, 2012
Author(s)
Andrea Comandini, Iftikhar A. Awan, Jeffrey A. Manion
Complementary shock-tube studies at the National Institute of Standards and Technology (NIST) and the University of Illinois at Chicago (UIC) have been used to examine the decomposition reactions of the 1-pentyl radical at temperatures of 833 K to 1130 K

Recommended vapor pressure and thermophysical data for ferrocene

August 14, 2012
Author(s)
Michal Fulem, Kvetoslav Ruzicka, Marisa A. Rocha, Luis M.N.B.F. Santos, Robert F. Berg
Recommended vapor pressure data for ferrocene (CAS Registry Number: 102-54-5) in the temperature range from 242 to 447 K were developed by the simultaneous correlation of critically assessed vapor pressures, heat capacities of the crystalline phase and the

Chemical and Thermophysical Characterization of 1,3,5-triisopropylcyclohexane

July 17, 2012
Author(s)
Thomas J. Bruno, Tara J. Fortin, Tara M. Lovestead, Jason A. Widegren
The complex nature of finished fuels makes definitive studies on composition and combustion properties very difficult and uncertain. This has led to the adoption of fuel surrogate mixtures in such studies. The development of a surrogate mixture is itself a

The Decomposition of 2-Pentyl and 3-Pentyl Radicals

July 15, 2012
Author(s)
Jeffrey A. Manion, Iftikhar A. Awan
The isomerization and decomposition reactions of 2-pentyl and 3-pentyl radicals have been studied in a single-pulse shock tube over a temperature range of 973 K to 1121 K and pressures of 120 kPa to 800 kPa. The results represent the first direct study of

Thermodynamic Properties of o-Xylene, m-Xylene, p-Xylene, and Ethylbenzene

June 27, 2012
Author(s)
Eric W. Lemmon, Yong Zhou, Jiangtao Wu
Equations of state for the xylene isomers (o-xylene, m-xylene, and p-xylene) and ethylbenzene have been developed with the use of the Helmholtz energy as the fundamental property with independent variables of density and temperature. The general

ThermoData Engine (TDE) Version 7.0 (Pure compounds, Binary Mixtures, Ternary Mixtures, Chemical Reactions) Standard Reference Database 103b

June 11, 2012
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris D. Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Kenneth G. Kroenlein, Carlos A. Diaz-Tovar, Jeong W. Kang, Rafiqul Gani
The first full-scale software implementation of the dynamic data evaluation concept {ThermoData Engine (TDE)} is described for thermophysical and thermochemical property data. This concept requires the development of large electronic databases capable of

Saturation molalities and standard molar enthalpies of solution of alpha-D-xylose(cr) in H2O(l); Standard molar enthalpies of solution of 1,4-beta-D-xylobiose(am), and 1,4-beta-D-xylotriose(am) in H2O(l)

May 14, 2012
Author(s)
Robert N. Goldberg, Brian E. Lang, Bruce Coxon, Stephen R. Decker
The saturation molality of alpha-D-xylose(cr) in water was measured by using HPLC and is m(sat) = (8.43 ± 0.42) mol∙kg-1 at the temperature T = 298.15 K. It was also established that the anhydrous form of alpha-D-xylose(cr) is the crystalline form that is

Guidelines for reporting of phase equilibrium measurements (IUPAC Recommendations 2012)

April 27, 2012
Author(s)
Robert D. Chirico, Theodoor W. de Loos, Juergen Gmehling, Anthony R. Goodwin, Sumnesh Gupta, Kenneth N. Marsh, Calvin Spencer, Martin P. Trusler, William M. Haynes, Vicente Rives, Joan F. Brennecke
Recommendations are given for reporting in the primary scientific literature of measurements involving phase equilibrium. The focus is on documentation issues, and many of the recommendations may also be applied to the more general fields of thermodynamic

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 7. Ternary Mixtures

January 27, 2012
Author(s)
Vladimir Diky, Robert D. Chirico, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Joe W. Magee, Ilmutdin M. Abdulagatov, Jeongwon J. Kang, Michael D. Frenkel
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present paper describes the first application of this concept to the evaluation of thermophysical properties for

NIST/TRC SOURCE Data Archival System: the Next-Generation Data Model for Storage of Thermophysical Properties

January 2, 2012
Author(s)
Andrei F. Kazakov, Chris D. Muzny, Kenneth G. Kroenlein, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Ilmutdin M. Abdulagatov, Michael D. Frenkel
A new data model for storage of experimental thermophysical and thermochemical property data was developed and implemented for NIST/TRC SOURCE data archival system. Substantial improvements in data quality as well as system usability and extendability are

New Equations for the Sublimation Pressure and Melting Pressure of H2O Ice Ih

December 17, 2011
Author(s)
Wolfgang Wagner, T Riethmann, Rainer Feistel, Allan H. Harvey
New reference equations, adopted by the International Association for the Properties of Water and Steam (IAPWS), are presented for the sublimation pressure and melting pressure of ice Ih as a function of temperature. These equations are based on input

ThermoData Engine (TDE) Version 6.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions)

September 27, 2011
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Kenneth Kroenlein, Jeon-Hong Kang
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept. In the present release, properties for ternary mixtures are calculated through combination of critically evaluated results for the constituent

Extension of ThermoML: The IUPAC Standard for Thermodynamic Data Communications (IUPAC Recommendations 2011)

September 7, 2011
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Paul L. Brown, John H. Dymond, Robert N. Goldberg, Anthony R. Goodwin, Heiko Heerklotz, Erich Koenigsberger, John E. Ladbury, Kenneth N. Marsh, David P. Remeta, Stephen E. Stein, William A. Wakeham, Peter A. Williams
ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibria, and

Improved First-Principles Calculation of the Third Virial Coefficient of Helium

August 31, 2011
Author(s)
Giovanni Garberoglio, Michael R. Moldover, Allan H. Harvey
We employ state-of-the-art pair and three-body potentials for helium to calculate its third density virial coefficient C(T) with uncertainties much smaller than those of the best experimental results, and approximately one-fourth the uncertainty of our

The sixth industrial fluid properties simulation challenge

July 28, 2011
Author(s)
F Case, Anne M. Chaka, Jonathan D. Moore, Raymond D. Mountain, Richard B. Ross, Vincent K. Shen, Eric A. Stahlberg
The sixth industrial fluid properties simulation challenge was held in 2010. The contestants were challenged to predict mutual solubility in liquid-liquid equilibria (LLE) for the PROGLYDE DMM + water system at various temperatures and atmospheric pressure

A New Method for Evaluation of UNIFAC Interaction Parameters

July 1, 2011
Author(s)
Jeongwon Kang, Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris Muzny, Ilmutdin M. Abdulagatov, Andrei F. Kazakov, Michael D. Frenkel
A new method for obtaining UNIFAC group-group interaction parameters is proposed using evaluated thermophysical property data generated at the Thermodynamics Research Center (TRC) of the National Institute of Standards and Technology (NIST). Using the
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