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F Case, John K. Brennan, Anne M. Chaka, Kerwin Dobbs, Daniel G. Friend, David Frurip, Peter A. Gordon, J Moore, Raymond D. Mountain, J Olson, Richard B. Ross, Martin Schiller, Vincent K. Shen
The third Industrial fluid properties simulation challenge was held from March to September 2006. As in the previous two events, contestants were challenged to predict specific, industrially relevant, properties of fluid systems. Their efforts were judged
The Systematic Intermolecular Potential Extrapolation Routine (SIMPER) is applied to the water-oxygen complex to obtain a five-dimensional potential energy surface. This is the first application of SIMPER to open-shell molecules, and it is the first use
Bryce Jacobson, Jacob W. Leachman, Steven Penoncello, Eric Lemmon
This paper presents a survey of the thermodynamic properties of normal hydrogen and parahydrogen with comparisons of properties calculated using the standard models to available experimental data. Motivated by the fact that the currently accepted standards
We determined the zero-density viscosity eta of hydrogen, methane and argon in the temperature range 200 K to 400 K, with standard uncertainties of 0.084 % for hydrogen and argon and 0.096 % for methane. These uncertainties are dominated by the uncertainty
Recently, we reported a method and apparatus for the advanced measurement of distillation curves. The new method allows for increased precision in the measurement of distillation curves as well as a composition-explicit channel of data. Herein, we report a
We have recently introduced several important improvements in the measurement of distillation curves for complex fluids. The modifications to the classical measurement provide for (1) a composition explicit data channel for each distillate fraction (for
Peter A. Gordon, Martin Schiller, Chien-Ping Chai Kao, Scott Bair, Daniel G. Friend
We outline the procedures used to establish benchmark physical property data for the Third Industrial Fluids Simulation Challenge. For both challenge problems, this involved measurement of new data. When possible, measurements were compared with published
James W. Schmidt, R Gavioso, E May, Michael R. Moldover
Using a quasi-spherical, microwave cavity resonator, we measured the refractive index of helium to deduce its molar polarizability A ε in the limit of zero density. We obtained (A ε,meas - A ε,theory)/A ε = (-1.8plus or minus} 8.4)× 10 -6, where the
Vladimir Diky, Chris D. Muzny, Eric W. Lemmon, Robert D. Chirico, Michael D. Frenkel
ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. The present paper describes two major software enhancements to TDE: (1) generation of equation of state
Experimental data of the thermophysical properties of 3He were mined into a searchable database. Equilibrium equations along the vapor-liquid and liquid-solid lines were proposed. A general equation of state for normal fluid 3He based on the Debye specific
Recent theoretical work has produced quantitatively accurate potential-energy surfaces for water with common gases. These pair potentials have been used to calculate cross second virial coefficients with an accuracy superior to that obtained by most
We present techniques to determine and compensate for the force transmission error (FTE), including the effects of magnetic fluids, in magnetic suspension densimeters. For a two-sinker densimeter, the forces on the balance are written out for each of the
We describe a new form of a fluid state equation, based on a conceptual extrapolation from the Debye equation for the specific heat of solid materials. The Debye characteristic temperature, theta, which is nominally a constant for solids, becomes a