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Displaying 326 - 350 of 437

Thermodynamic properties of three-ring aza-aromatics.2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods

November 18, 2009
Author(s)
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

ThermoData Engine (TDE) Version 2E-2009

September 15, 2009
Author(s)
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

First-Principles Calculation of the Third Virial Coefficient of Helium

September 1, 2009
Author(s)
Allan H. Harvey, Giovanni Garberoglio
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

Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures

August 25, 2009
Author(s)
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

Investigation of Flow Nonuniformities in a Large 50 K Pulse Tube Cryocooler

June 28, 2009
Author(s)
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

DESIGN, FABRICATION, AND ASSEMBLY OF A HOLLOW-CORE FIBER-BASED MICRO CRYOGENIC COOLER

June 21, 2009
Author(s)
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

Model for Thermodynamic Properties of a Biodiesel Fuel

June 12, 2009
Author(s)
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

Thermodynamics of the Hydrolysis Reactions of +--D-galactose 1-phosphate, sn-glycerol 3-phosphate, 4 nitrophenyl phosphate, phosphocreatine, and 3-phospho-D-glycerate

May 1, 2009
Author(s)
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)

Study of Azeotropic Mixtures with the Advanced Distillation Curve Approach

April 11, 2009
Author(s)
Amelia Hadler, Lisa S. Ott, Thomas J. Bruno
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

Book Review of Introduction to Modern Thermodynamics

April 6, 2009
Author(s)
Robert N. Goldberg
The book Introduction to Modern Thermodynamics by Dilip Kondepudi (John Wiley & Sons, Hoboken, NJ, 2008, ISBN 978-0-9470-01598-8) is reviewed for Angewandte Chemie.

Uncertainties in Scaling Factors for ab Initio Vibrational Zero-Point Energies

March 21, 2009
Author(s)
Karl K. Irikura, Russell D. Johnson III, Raghu N. Kacker, Ruediger Kessel
Vibrational zero-point energies (ZPEs) determined from ab initio calculations are often scaled by empirical factors. An empirical scaling factor partially compensates for the effects arising from vibrational anharmonicity and incomplete treatment of

Thermodynamic and Thermophysical Properties ( Including Mixtures) of the Reference Ionic Liquid: 1-Hexyl-3-Methylimidazolium Bis[(Trifluoromethyl) Sulfonyl]amide. Part 2. Critical Evaluation and Recommended Property Values

March 20, 2009
Author(s)
Robert D. Chirico, Vladimir Diky, Joe W. Magee, Michael D. Frenkel, Kenneth N. Marsh
This article is a product of IUPAC Project 2002-005-1-100 (Thermodynamics of ionic liquids, ionic liquid mixtures, and the development of standardiized systems). Experimental results of thermodynamic, transport, and phase equilibrium studies made on a

Thermodynamic and Thermophysical Properties of the Reference Ionic Liquid: 1-Hexyl-3-Methylimidazolium Bis[(Trifluoromethyl)Sulfonyl]amide (including mixtures). Part 1. Experimental Methods and Results

March 20, 2009
Author(s)
Kenneth N. Marsh, Joan F. Brennecke, Robert D. Chirico, Michael D. Frenkel, Andreas Heintz, Joe W. Magee, Cor J. Peters, Luis P. Rebelo, Kenneth R. Seddon
This article summarized the results of IUPAC Project 2002-005-1-100 (Thermodynamics of ionic liquids, ionic liquid mixtures, and the development of standardized systems). The methods used by the various contributors to measure the thermophysical and phase

Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

December 12, 2008
Author(s)
Rainer Feistel, Daniel G. Wright, Kiyoshi Miyagawa, Allan H. Harvey, Jan Hruby, Trevor J. McDougall, David R. Jackett, Wolfgang Wagner
A new seawater standard for oceanographic and engineering applications has been developed that consists of three independent thermodynamic potential functions, derived from extensive distinct sets of very accurate experimental data. The results have been

Shear Thinning Near the Critical Point of Xenon

April 17, 2008
Author(s)
Robert F. Berg, Michael R. Moldover, M Yao, G A. Zimmerli
We measured shear thinning, a viscosity decrease ordinarily associated with complex liquids, near the critical point of xenon. The data span the range of reduced shear rates: 0.001 < γτ < 700, where γτ is the shear rate scaled by the relaxation time τ of
Displaying 326 - 350 of 437
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