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Elucidating the Effects of Adsorbent Flexibility on Fluid Adsorption Using Simple Models and Flat-Histogram Sampling Methods

June 24, 2014

Author(s)

Vincent K. Shen, Daniel W. Siderius

Using flat-histogram Monte Carlo methods, we investigate the adsorptive behavior of the square-well fluid in two simple slit-pore- like models intended to capture fundamental characteristics of flexible adsorbent materials. The models require thermodynamic

Photochemical Properties of trans-1-chloro-3,3,3-trifluoropropene (trans-CHCl=CHCF3): OH Reaction Rate Constant, UV and IR Absorption Spectra, GWP and ODP.

June 23, 2014

Author(s)

Vladimir L. Orkin, Larissa E. Martynova, Michael J. Kurylo III

Measurements of the rate constant for the gas phase reactions of OH radicals with trans-1-chloro-3,3,3-trifluoropropene (trans-CHCl=CHCF3) were performed using a flash photolysis resonance-fluorescence technique over the temperature range 220 K to 370 K

Kinetics of the reactions of H and CH3 radicals and n-butane: An experimental design study using reaction network analysis

June 17, 2014

Author(s)

David A. Sheen, Jeffrey A. Manion

The oxidation of hydrocarbon fuels proceeds through the attack of small radicals such as H and CH3 on large molecules. These radicals abstract H atoms from the large molecules, which then usually proceed by β-scission to form C2H4 and C3H6. Quantifying

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

Enthalpies of formation of nitromethane and nitrobenzene: New experiments vs quantum chemical calculations

December 20, 2013

Author(s)

Vladimir Diky, Sergey Verevkin, Vladimir Emel?yanenko, Olga Dorofeeva

Enthalpy of combustion of highly pure nitromethane and nitrobenzene have been measured with the precise combustion calorimetry. Enthalpies of vaporization for both compounds were collected and evaluated. New internally consistent experimental data set of

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

Enthalpies of formation of nitromethane and nitrobenzene: New experiments vs quantum chemical calculations

September 11, 2013

Author(s)

Vladimir Diky, Sergey Verevkin, Vladimir Emel?yanenko, Olga Dorofeeva

Performance Analysis of an Integrated Micro Cryogenic Cooler and Miniature Compressor for Cooling to 200 K

June 24, 2013

Author(s)

Ryan J. Lewis, Mu Hong Lin, Yunda Wang, Jill Cooper, Peter E. Bradley, Ray Radebaugh, Marcia L. Huber, Yung-Cheng Lee

Joule-Thomson (J-T) based micro cryogenic coolers (MCCs) are attractive because they can provide the cryogenic temperatures needed for small electronic devices while having a low cost and small volumetric footprint. A compressor is a major part of a

A Thermodynamic Analysis of Refrigerants. II. Possibilities and Tradeoffs for Low-GWP Refrigerants

June 17, 2013

Author(s)

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

Effect of Flow-Pressure Phase on Performance of Regenerators in the Range of 4 K to 20 K

June 17, 2013

Author(s)

Michael A. Lewis, Ryan P. Taylor, Peter E. Bradley, Ray Radebaugh

Modeling with REGEN3.3 has shown that the phase between flow and pressure at the cold end of 4 K regenerators has a large effect on their second-law efficiency. The use of inertance tubes in small 4 K pulse tube cryocoolers have limited phase shifting

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

Thermodynamic Analysis of Cascade Microcryocoolers with Low Pressure Ratios

June 17, 2013

Author(s)

Ray Radebaugh

The vapor-compression cycle for refrigeration near ambient temperature achieves high efficiency because the isenthalpic expansion of the condensed liquid is a rather efficient process. However, temperatures are limited to about 200 K with a single-stage