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Robert D. Chirico, Michael D. Frenkel, Vladimir Diky, Robert N. Goldberg, Heiko Heerklotz, John E. Ladbury, David P. Remeta, John H. Dymond, Anthony R. Goodwin, Kenneth N. Marsh, William A. Wakeham
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 properties of biomaterials are described. The
Robert D. Chirico, Vladimir Diky, Andrei F. Kazakov, Chris D. Muzny, 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. This paper describes the first application of this concept to the evaluation of thermodynamic properties
We review the progress in acoustic metrology of gases that has occurred since the 1988 measurement of the universal gas constant R using a spherical acoustic resonator. The advances in understanding resonators and in calculating the thermophysical
Robert D. Chirico, Andrei F. Kazakov, William V. Steele
Measurements leading to the calculation of thermodynamic properties for phenazine (Chemical Abstracts registry number [92-82-0]) in the ideal-gas state are reported. Experimental methods included adiabatic heat-capacity calorimetry, inclined-piston
Robert D. Chirico, Andrei F. Kazakov, William V. Steele
Measurements leading to the calculation of standard entropies for 1,10-phenanthroline (Chemical Abstracts registry number [66-71-7]) in the crystal, liquid, and ideal-gas state are reported. Experimental methods were adiabatic heat-capacity calorimetry and
Preston Craig, Robert D. Chirico, Vladimir Diky, Ilmutdin Abdulagatov, Thomas J. Bruno, Michael D. Frenkel
ThermoData Engine (TDE) Version 2E-2009 is a software expert system for critical evaluation of thermophysical properties of selected explosive materials through implementation of dynamic data evaluation. There are 62 compounds in version 2E-2009. The
Knowledge of the pair and three-body potential-energy surfaces of helium is now sufficient to allow calculation of the third density virial coefficient, C(T), with significantly smaller uncertainty than that of existing experimental data. In this work, we
Vincent K. Shen, Mark J. Pond, William P. Krekelberg, Jeffrey R. Errington, Thomas M. Truskett
We report molecular dynamics simulation results for two-component fluid mixtures of Gaussian-core particles, focusing on how tracer diffusivities and static pair correlations depend on temperature, particle concentration, and composition. At low particle
Michael A. Lewis, Ryan P. Taylor, Ray Radebaugh, Isaac Garaway, Peter E. Bradley
A single stage pulse tube cryocooler was optimized to provide 50 W of net refrigeration power at 50 K when driven by a pressure oscillator that can produce up to 2.8 kW of acoustic power at 60 Hz. The cryocooler was designed with the ability to provide
James C. Booth, Mu Hong Lin, Peter E. Bradley, H.-j Wu, Ray Radebaugh, Y.C. Lee
One of the smallest Joule Thomson (J-T) micro cryogenic coolers (MCC) utilizing a hollow-core fiberbased heat exchanger (HX) is designed, fabricated, assembled and tested. Techniques that control mask material etching are developed to fabricate a multi
Marcia L. Huber, Eric W. Lemmon, Andrei F. Kazakov, Lisa S. Ott, Thomas J. Bruno
We present an equation-of-state approach to modeling the thermodynamic properties of a biodiesel fuel. Preliminary Helmholtz-type equations of state were developed with limited experimental data for five fatty acid methyl esters (FAMEs) that are primary
Robert N. Goldberg, Brian E. Lang, Catherine T. Lo, David J. Ross, Yadu D. Tewari
Microcalorimetry, high-performance liquid chromatography, and an enzymatic assay have been used to conduct a thermodynamic investigation of five phosphate hydrolysis reactions: α-D-galactose 1 phosphate(aq) + H2O(l) = D-galactose(aq) + orthophosphate(aq)
Classical methods for the study of complex fluid phase behavior include static and dynamic equilibrium cells that usually require vapor and liquid recirculation. These are sophisticated, costly apparatus that require highly trained operators, usually