An official website of the United States government
Here’s how you know
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.
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
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
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
Robert D. Chirico, Andrei F. Kazakov, William V. Steele
Measurements leading to the calculation of thermodynamic properties for 9-fluorenone (IUPAC name 9H fluoren 9 one and Chemical Abstracts registry number [486-25-9]) in the ideal-gas state are reported. Experimental methods were adiabatic heat-capacity
Daniel Siderius, William P. Krekelberg, Christopher J. Roberts, Vincent K. Shen
Rayleigh light scattering is often used to quantify protein-protein interactions in solution via experimental measurement of the osmotic second virial coefficient (OSVC), but analysis of measurements from such experiments requires identification of a
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
The recent move toward physics-based elastohydrodynamics promises to yield advances in understanding of the mechanisms of friction and film generation not possible a few years ago. However, the accurate correlation of the low-shear viscosity with
Iftikhar A. Awan, Donald R. Burgess Jr., Jeffrey A. Manion
The decomposition and intramolecular H-transfer isomerization reactions of the 1 pentyl radical have been studied at temperatures of 900 K to 1050 K and pressures of 0.8 bar to 6 bar using the single pulse shock tube technique and additionally investigated
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
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
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
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
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
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
In this Letter we reinterpret the widely-used Steele 10-4-3 potential for a gas molecule interacting with a planar surface, and derive analogous potentials for adsorption in cylindrical and spherical pores. These new potentials correctly recover the Steele
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
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
Matthew E. Staymates, Wayne Smith, Eric S. Windsor
Swipe-based explosive trace detectors rely on thermal desorption to vaporize explosive particles collected on a swipe. The vaporized material is carried by air flows from the desorption unit to the inlet of the chemical analyzer, typically an ion mobility
Rising prices and the uncertain supply of petroleum based aviation fuels have led to an interest in substitute fuels made from non-petroleum sources. Synthetic isoparaffinic kerosenes (S-IPK) are among the most promising alternatives. Two instruments were
The p-ρ-T behavior of 2,3,3,3-tetrafluoroprop-1-ene (R1234yf) was measured from T = (232 to 400)K with pressures up to 10 MPa using a two-sinker densimeter. The measurements extend from low-density vapor to compressed-liquid states, and include the
Jin-Tao Zhang, H. Lin, X.J. Feng, J.P. Sun, Keith A. Gillis, Michael R. Moldover, Y.Y. Duan
We used a single, fixed-path-length cylindrical-cavity resonator to measure c 0 = (307.8252 ± 0.0012) m•s −1, the zero-density limit of the speed of sound in pure argon at the temperature of the triple point of water. Three even and three odd
The first complete five-dimensional potential energy surface is calculated for the interaction of water and carbon dioxide, using second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster theory with single, double and perturbative triple
We derive path-integral expressions for the second and third virial coefficients of monatomic quantum gases. Unlike previous work that considered only Boltzmann statistics, we include exchange effects (Bose-Einstein or Fermi-Dirac statistics). We use state
Presentation at the Winter Meeting of the American Society of Heating, Refrigerating, and Air-Conditioning Engineers (ASHRAE), Las Vegas, NV, January 30, 2011. This presenation summarizes the data needed on any new refrigerant; the candidate fluids having
Michael D. Frenkel, Vladimir Diky, Robert D. Chirico, Robert N. Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R. Goodwin, Kenneth N. Marsh, William A. Wakeham, Stephen E. Stein, Paul L. Brown, Erich Koenigsberger, Peter A. Williams
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 speciation and complex equilibria are described