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Computer-assisted analyses of the thermodynamic properties of slags in coal-combustion systems

Description: Equations were developed for the analysis of the thermodynamic properties of molten silicate solutions; the equations take into account the unusual concentration and temperature dependence of the solution properties of ordered systems. For binary systems, these equations were coupled with an optimization computer program to analyze all reliable thermodynamic data, including phase diagrams, free energies and enthalpies of formation of compounds, activities of components, enthalpies of mixing, en… more
Date: September 1, 1983
Creator: Blander, M. & Pelton, A.D.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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New nuclear structure calculations and the astrophysical r-process

Description: Recent developments in nuclear-structure calculations used to calculate the nuclear properties of neutron-rich heavy elements can have a dramatic effect on astrophysical r-process calculations. In particular, in the context of the macroscopic-microscopic method, studies of the effect of the finite range of the nuclear force on the surface energy, the shape dependence of the Wigner term, new shape degrees of freedom near scission, and improved single particle potentials for neutron-rich heavy el… more
Date: September 1, 1987
Creator: Howard, W. M.; Moeller, P.; Mathews, G. J. & Meyer, B. S.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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The growth, structure, and thermal stability of vapor deposited ultra-thin metal films: Rh on Ag(100), Au on Pd(110), and Pt on Pd(110)

Description: The growth, structure, and thermal stability of ultra-thin metal films (Rh on Ag(100); Au on Pd(110) and Pt on Pd(110)) is investigated using surface sensitive techniques. The three systems studied present a variety of differing characteristics which can contribute to the growth mode, two-dimensional structure, and thermal stability of the films. The main factors contributing to the differing properties of the three systems presented here are: (1) the different substrate morphologies; (2) the d… more
Date: September 21, 1990
Creator: Schmitz, P.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Assessment of the Use of Nitrogen Trifluoride for Purifying Coolant and Heat Transfer Salts in the Fluoride Salt-Cooled High-Temperature Reactor

Description: This report provides an assessment of the use of nitrogen trifluoride for removing oxide and water-caused contaminants in the fluoride salts that will be used as coolants in a molten salt cooled reactor.
Date: September 28, 2010
Creator: Scheele, Randall D. & Casella, Andrew M.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Measuring Thermodynamic Length

Description: Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central interestin understanding matter out of equilibrium. In this Letter, we will consider how to denethermo… more
Date: September 7, 2007
Creator: Crooks, Gavin E
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Phase separation in H2O:N2 mixture - molecular dynamics simulations using atomistic force fields

Description: A class II atomistic force field with Lennard-Jones 6-9 nonbond interactions is used to investigate equations of state (EOS) for important high explosive detonation products N{sub 2} and H{sub 2}O in the temperature range 700-2500 K and pressure range 0.1-10 GPa. A standard 6th order parameter-mixing scheme is then employed to study a 2:1 (molar) H{sub 2}O:N{sub 2} mixture, to investigate in particular the possibility of phase-separation under detonation conditions. The simulations demonstrate … more
Date: September 25, 2006
Creator: Maiti, A; Gee, R; Bastea, S & Fried, L
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"

Description: This article provides comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values," published in the Journal of Chemical Information and Modeling.
Date: September 8, 2006
Creator: Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Development of high-temperature UV-VIS-NIR spectroscopy for the measurement of free energies of complexation at elevated temperatures

Description: We have developed instrumentation capable of measuring optical absorption spectra over a wavelength range of 200--1200 nm and a temperature range of 20--100{degree}C. This fiber-optic based spectrometer generates data which allow the computation of metal-ligand equilibrium constants. Studies at five temperatures have been completed using praseodymium-diglycolate as a model system. Fundamental thermodynamic values (free energies, enthalpies, entropies) were obtained from the experimentally-deter… more
Date: September 26, 1990
Creator: Robouch, P.; Grant, P.; Torres, R. A.; Baisden, P. A. & Silva, R. J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Equation of state of partially-ionized dense plasmas

Description: This paper describes methods for calculating the equation of state of partially-ionized dense plasmas. The term dense plasma is used rather than strongly coupled plasma, since it is possible that at plasma conditions such that only a few levels can be observed spectroscopically the plasma coupling parameters are not large. Due mainly to their importance in theoretical astrophysics, the properties of partially ionized plasmas have been of interest for a long while. More recently, this interest h… more
Date: September 28, 1989
Creator: Rogers, F. J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Physical property parameter set for modeling ICPP aqueous wastes with ASPEN electrolyte NRTL model

Description: The aqueous waste evaporators at the Idaho Chemical Processing Plant (ICPP) are being modeled using ASPEN software. The ASPEN software calculates chemical and vapor-liquid equilibria with activity coefficients calculated using the electrolyte Non-Random Two Liquid (NRTL) model for local excess Gibbs free energies of interactions between ions and molecules in solution. The use of the electrolyte NRTL model requires the determination of empirical parameters for the excess Gibbs free energies of t… more
Date: September 1, 1996
Creator: Schindler, R.E.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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A Semi-Empirical Excess Pressure Equation for CO{sub 2}-H{sub 2}O fluids at 400 C, 0--400 MPa

Description: Highly accurate and precise density data for CO{sub 2}-H{sub 2}O mixtures at 400 C 10-400 MPa, were used to develop a modified, B-truncated virial equation for excess pressure (P{sup ex}). This function and empirical equations of state for H{sub 2}O and CO{sub 2} accurately represent the experimentally determined densities, and interpolate smoothly between data points. Integrating the P{sub ex} expression with respect to molar volume yields an equation for excess Helmholta free energy, which ca… more
Date: September 12, 1999
Creator: Blencoe, J. G.; Anovitz, L. M. & Singh, J.
Item Type: Refine your search to only Article
Partner: UNT Libraries Government Documents Department
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Nonlinear dynamics of a driven mode near marginal stability

Description: The nonlinear dynamics of a linearly unstable mode in a driven kinetic system is investigated to determine scaling of the saturated fields near the instability threshold. To leading order, this problem reduces to solving an integral equation with a temporally nonlocal cubic term. This equation can exhibit a self-similar solution that blows up in a finite time. When the blow-up occurs, higher nonlinearities become important and the mode saturates due to plateau formation arising from particle tr… more
Date: September 1, 1995
Creator: Berk, H.L.; Breizman, B.N. & Pekker, M.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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The phase diagram of crystalline surfaces

Description: We report the status of a high-statistics Monte Carlo simulation of non-self-avoiding crystalline surfaces with extrinsic curvature on lattices of size up to 128{sup 2} nodes. We impose free boundary conditions. The free energy is a gaussian spring tethering potential together with a normal-normal bending energy. Particular emphasis is given to the behavior of the model in the cold phase where we measure the decay of the normal-normal correlation function.
Date: September 22, 1995
Creator: Anagnostopoulos, K.N.; Bowick, M.J. & Catterall, S.M.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

ELECTROMOTIVE FORCE, EMF (CELLS)

Description: The voltage or electric potential difference across the terminals of a cell when no current is drawn from it. The emf of a cell is the sum of the electric potential differences (PDs) produced by a separation of charges (electrons or ions) that can occur at each phase boundary (or interface) in the cell. The magnitude of each PD depends on the chemical nature of the two contacting phases. Thus, at the interface between two different metals, some electrons will have moved from the metal with a hi… more
Date: September 16, 1998
Creator: Archer, M. D. & Feldberg, S. W.
Item Type: Refine your search to only Text
Partner: UNT Libraries Government Documents Department
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