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Michael D. Frenkel, Sergey P. Verevkin, V N. Emel'yanenko, Robert D. Chirico, Vladimir Diky, Chris D. Muzny
A new group-contribution approach involving systematic corrections for 1,4-non-bonded carbon-carbon and carbon-oxygen interactions has been proposed. Limits of the applicability of the method, associated with the highly branched structures, were
Mark O. McLinden, Andrei F. Kazakov, J. Steven Brown, Piotr A. Domanski
We explore the possibilities for refrigerants having low global warming potential (GWP) by use of two distinct approaches. In a companion paper (Domanski et al., 2013) we evaluate the effect of a refrigerants fundamental thermodynamic parameters on its
This is a new release of the NIST Standard Reference Database 23, commonly known as REFPROP. Enhancements have been made to most areas of the NIST REFPROP program, including the graphical interface, the Excel spreadsheet, the FORTRAN files (i.e., core
We use the path-integral Monte Carlo technique and a recent high-accuracy six-dimensional potential to compute the cross second virial coefficients for all unlike pairs among the hydrogen isotopologues H2, D2, T2, HD, HT, and DT. Values are calculated from
The article provides overview of the systems and software tools designed for global validation of the experimental data in the field of thermodynamics, and experimental data-driven technologies for thermophysical property prediction developed recently at
We present grand canonical transition-matrix Monte Carlo (GC-TMMC) as an efficient method for simulating gas adsorption processes, with particular emphasis on subcritical gas adsorption in which capillary phase transitions are present. As in other
Presentation at 2013 Winter Annual Meeting of the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE), Dallas, Texas, January 27, 2013. The importance of fluid properties for heat transfer analysis in refrigeration
Robert N. Goldberg, Manuel A. Ribeiro da Silva, Maria D. Ribeiro da Silva, Ana I. Lobo Ferreira, Quan Shi, Brian F. Woodfield
The thermochemistry of alpha-D-xylose(cr) was studied by means of oxygen bomb calorimetry and a Physical Property Measurement System (PPMS) in zero magnetic field. The sample of -D-xylose(cr) used in this study was one well-characterized by HPLC, Karl
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
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
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
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