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Chemistry

Chemical thermodynamics & chemical properties

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Displaying 176 - 200 of 288

Modeling of 2-bromotrifluoropropene flame inhibition

August 14, 2014
Author(s)
Donald R. Burgess Jr., Jeffrey A. Manion, Valeri I. Babushok, Gregory T. Linteris
We developed a new chemical mechanism for modeling flame inhibition by 2-bromotrifluoropene (2-BTP). The modeling results qualitatively predicted agent behavior in cup-burner and FAA Aerosol Can tests over a wide range of conditions. The ban on igh ozone

Design and Analysis of a 150 K Cascade Joule-Thomson Microcooler

June 9, 2014
Author(s)
Ray Radebaugh, Peter E. Bradley, Collin J. Coolidge, Ryan J. Lewis, Y.C. Lee
Lightweight and compact microcoolers are needed for advanced, hand-held infrared systems. A temperature of 150 K is adequate for high sensitivity with some of the latest IR detectors, which simplifies the cooling requirements compared to 80 K detectors

A comparison of literature models for the oxidation of normal heptane

February 1, 2014
Author(s)
David A. Sheen, Wing Tsang
The development of detailed chemical kinetic models has proceeded unabated since the pioneering work of Dixon-Lewis and coworkers forty-five years ago. In that time, computational power has increased ten million-fold, and yet, we do not have a consensus on

Connection between thermodynamics and dynamics of simple fluids in highly attractive pores

October 25, 2013
Author(s)
William P. Krekelberg, Vincent K. Shen, Daniel W. Siderius, Thomas M. Truskett, Jeffrey R. Errington
We investigate the structural and diffusive dynamics properties of a model fluid in highly-absorptive cylindrical pores. At subcritical temperatures, self diffusion displays three distinct regimes as a function of average pore density ρ: 1) a decrease in

Properties of Selected Materials at Cryogenic Temperatures

June 17, 2013
Author(s)
Peter E. Bradley, Ray Radebaugh
The design of systems for operation at cryogenic temperatures requires the use of material properties at these low temperatures. The properties at cryogenic temperatures can be much different than the room-temperature values. In addition, some properties

Photochemical Properties of Some Cl-Containing Halogenated Alkanes

May 31, 2013
Author(s)
Vladimir L. Orkin, Victor Khamaganov, E. E. Kasimovskaya, A G. Guschin
Rate constants for the gas phase reactions of OH radicals with three partially halogenated alkanes, CHCl3 (kMC), CHFClCFCl2 (k122a), and CH2CFCl2 (k132c), were measured using a discharge flow – electron paramagnetic resonance technique over the temperature

Thermal Decomposition Kinetics of 1,3,5-Triisopropylcyclohexane

May 29, 2013
Author(s)
Raina V. Gough, Jason A. Widegren, Thomas J. Bruno
Recent surrogate diesel fuel mixture development identified the need for a multiply-substituted, low cetane number, high molecular mass monocycloalkane component. On the basis of a thermophysical property evaluation and prediction, 1,3,5

Experimental investigation of Low-pressure refrigerant mixtures for Micro Cryogenic Coolers

February 4, 2013
Author(s)
Ryan J. Lewis, Yunda Wang, Peter E. Bradley, Marcia L. Huber, Ray Radebaugh, Y. C. Lee
Micro Cryogenic Coolers (MCCs) can achieve very small sizes and high efficiencies when operating with a refrigerant mixture, but micro-scale compressors have a limited pressure output. Four refrigerant mixtures were designed to operate between 0.4 MPa and

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 8. Properties of Material Streams and Solvent Design

December 3, 2012
Author(s)
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

Development of a 4K Regenerator and Pulse Tube Test Facility

October 10, 2012
Author(s)
Michael A. Lewis, Peter E. Bradley, Ryan P. Taylor, Ray Radebaugh
Recent advances in superconducting electronic systems are requiring larger envelopes for cooling power, efficiency, and operational environments from commercial based cryogenic cooling systems. One such system targeted at meeting these requirements is the

Thermal Decomposition of 1-Pentyl Radicals at High Pressures and Temperatures

September 27, 2012
Author(s)
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

The Decomposition of 2-Pentyl and 3-Pentyl Radicals

July 15, 2012
Author(s)
Jeffrey A. Manion, Iftikhar A. Awan
The isomerization and decomposition reactions of 2-pentyl and 3-pentyl radicals have been studied in a single-pulse shock tube over a temperature range of 973 K to 1121 K and pressures of 120 kPa to 800 kPa. The results represent the first direct study of
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