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Physics

Thermodynamics

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Displaying 226 - 250 of 437

Comprehensive Study of the Thermodynamic Properties for 2-Methyl-3-buten-2-ol

July 29, 2015
Author(s)
Dzmitry H. Zaitsau, Eugene Paulechka, Dzmitry S. Firaha, Andrey V. Blokhin, Gennady J. Kabo, Ala Bazyleva, Andrey G. Kabo, Mikhail A. Varfolomeev, Viktor M. Sevruk
The heat capacity of 2-methyl-3-buten-2-ol over the interval (5 to 370) K was measured in an adiabatic calorimeter. The standard entropy and heat capacity of liquid phase at reference temperature 298.15 K were found to be Som = (232.6 ± 1.0) J·K-1·mol-1

A Chemical Kinetic Mechanism for 2-Bromo-3,3,3-trifluoropropene (2-BTP) Flame Inhibition

July 22, 2015
Author(s)
Donald R. Burgess Jr., Valeri I. Babushok, Gregory T. Linteris, Jeffrey A. Manion
The present paper is concerned with the development of a detailed chemical kinetic mechanism to describe the flame inhibition chemistry of the fire suppressant 2-bromo-3,3,3-trifluoropropene (2-BTP). Currently 2-BTP is considered as a fire suppressant to

Computational Study of Trimer Self-Assembly and Fluid Phase Behavior

April 24, 2015
Author(s)
Harold W. Hatch, Vincent K. Shen, Jeetain Mittal
The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-histogram Monte Carlo methods. A variety of self-assembled structures were

A Fundamental Equation of State for 1,1,1,3,3-Pentafluoropropane (R-245fa)

March 26, 2015
Author(s)
Ryo Akasaka, Yong Zhou, Eric Lemmon
A new fundamental equation of state explicit in the Helmholtz energy is presented for 1,1,1,3,3 pentafluoropropane (R 245fa), based on recent experimental data for the vapor pressures, densities, and vapor sound speeds. The functional form now uses

"Weighing" a Gas With Microwave and Acoustic Resonances

March 24, 2015
Author(s)
Keith A. Gillis, James B. Mehl, James W. Schmidt, Michael R. Moldover
With calibrations of large flow meters in mind, we established the feasibility of determining the mass Mof argon gas contained within a 0.3 m 3 commercially manufactured pressure vessel ("tank") with a relative uncertainty of u r(M) = 0.0015 at 0.6 MPa by

ThermoData Engine (TDE) Version 9.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions); NIST Standard Reference Database 103b

December 31, 2014
Author(s)
Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Kenneth Kroenlein, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Eric Lemmon, Jeongwon Kang
The ThermoData Engine is a software expert systems implementing the concept of dynamic data evaluation. This new release includes implementation of three important new features: (1)new parameters for the NIST "modified UNIFAC" method for predictions of

An Equation of State for the Thermodynamic Properties of Cyclohexane

December 5, 2014
Author(s)
Yong Zhou, Jun Liu, Steven Penoncello, Eric Lemmon
In this work, an equation of state for cyclohexane has been developed using the Helmholtz energy as the fundamental property with independent variables of density and temperature. Multi-property fitting technology was used to fit the equation of state that

A thermodynamic investigation of the cellulose allomorphs: cellulose(am), cellulose I?(cr), cellulose II(cr), and cellulose III(cr)

November 11, 2014
Author(s)
Robert N. Goldberg, Jacob Schliesser, Ashutosh Mittal, Stephen R. Decker, Ana Filipa L. Santos, Vera L. Freitas, Aaron A. Urbas, Brian E. Lang, Christian Heisse, Maria D. Ribeiro da Silva, Brian F. Woodfield, Rui Katahira, Wei Wang, David K. Johnson
The thermochemistry of samples of amorphous cellulose, cellulose I, cellulose II, and cellulose III was studied by using oxygen bomb calorimetry, solution calorimetry in which the solvent was cadoxen, and with a Physical Property Measurement System (PPMS)

Modeling RP-1 fuel advanced distillation data using comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry and partial least squares analysis

October 15, 2014
Author(s)
Thomas J. Bruno, Benjamin Kehimkar, Brendon Parsons, Jamin C. Hoggard, M. C. Billingsley, R. E. Synovec
Recent efforts in predicting rocket propulsion (RP-1) fuel performance through modeling put greater emphasis on obtaining detailed and accurate fuel properties, as well as to elucidate the relationships between fuel composition and their properties. Herein

Fully Quantum Cross Second Virial Coefficients for the Three-Dimensional He-H2 Pair

September 21, 2014
Author(s)
Giovanni Garberoglio, Konrad Patkowski, Allan H. Harvey
We use a recent high-accuracy three-dimensional potential to compute the cross second virial coefficient B12(T) between helium and molecular hydrogen. The path-integral method used in this work fully accounts for both the flexibility of the hydrogen

In Search of Better Pressure Standards

August 1, 2014
Author(s)
Jay H. Hendricks, Jacob E. Ricker, Patrick F. Egan, Gregory F. Strouse
Based on highly accurate optical interferometry and fundamental quantum calculations, researchers at the National Institute of Standards and Technology (NIST) in the US are developing an improved definition of the SI unit for pressure that will consign the

Algorithmic Framework for Quality Assessment of Phase Equilibrium Data

June 3, 2014
Author(s)
Vladimir Diky, Robert D. Chirico, Joe W. Magee, Chris D. Muzny, Andrei F. Kazakov, Kenneth G. Kroenlein, Michael D. Frenkel, Jeongwon J. Kang
Data quality assessment procedures for various types of phase equilibrium data are reviewed and analyzed. Experimental data for vapor-liquid equilibrium (VLE), liquid-liquid equilibrium (LLE), solid-liquid equilibrium (SLE), infinite dilution activity
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