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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