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  • GEOPHYSICS  (5)
  • Chemical Engineering  (4)
  • Computational Chemistry and Molecular Modeling  (3)
  • 2005-2009
  • 1990-1994  (12)
  • 1970-1974
  • 1992  (12)
  • 1
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 38 (1992), S. 1577-1592 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Transient temperature profiles for long rods of lossy dielectric materials with thermally-dependent dielectric properties exposed to uniform plane waves are obtained. Maxwell's equation and the heat equation are simultaneously solved using the finite element method to predict the power absorbed and the resulting temperature rise in samples of square and circular cross-section. Following the method introduced recently, we derive an exact radiation boundary condition which is independent of the rod cross-section. For a cylindrical sample, the boundary condition is imposed on the cylinder itself. For a square rod, the boundary condition is imposed on a cylinder containing the rod. The temperature dependence of dielectric properties and sample dimensions appreciably influence heating patterns. For square samples, the edges focus radiation, causing preferential heating at the edges. This effect is pronounced for larger samples. In addition, the incident wave polarization influences the heating of the rod. For waves where the electric field is polarized along the long axis of the sample (TMz polarization) the power absorbed is higher than when the electric field is perpendicular to the axis (TEz polarization). A case involving runaway heating is also investigated.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 691-698 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Both ab initio and semiempirical electronic structure calculations are used to investigate the molecular and electronic structures and eneregetic stabilities of an unusual bridged compound with the general formula [Y—SiH3—X—SiH3—Y]-, with Y = H or F and X = H, CH3, NH2, OH, F, or Cl. Most of these bridged anions are quite stable relative to YSiH3 + XSiH3Y-, and the stability is predicted to increase considerably when Y = H is replaced with Y = F.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 38 (1992), S. 563-572 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new approach to gross error detection provides unbiased estimates and 100(1-α)% simultaneous confidence intervals of process variables when biased process measurements and process leaks exist. Presented in this article are estimation equations for process variables, as well as equations that help identify biased measurements and process leaks. These equations include the power function for a global test, and two types of α-level component tests and their power functions. Important strengths and weaknesses of this approach are compared to those of the serial compensation strategy, in particular, by varying the significance level (α), the variance-covariance matrix (Σ), the size of measurement bias (δ), the number of biased variables, and the sample size (N). Accuracy of δ estimation and performance in detecting the presence of process leaks (γ) are also evaluated and compared. The proposed approach has unique features that can provide a basis for improving the reconciliation of variables in process operations.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 38 (1992), S. 1997-1998 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 38 (1992), S. 1999-2000 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 13 (1992), S. 768-771 
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Finite-difference Poisson-Boltzmann (FDPB) methods allow a fast and accurate calculations of the reaction field (charge-solvent) energies for molecular systems. Unfortunately, the energy in the FDPB calculations includes the self-energies and the finite-difference approximation to the Coulombic energies as well as the reaction field energy. A second finite-difference calculation, in a uniform dielectric, is therefore necesssary to eliminate these contributions. In this article we describe a rapid and accurate method to calculate the self energy and finite-difference Coulombic energies in a uniform dielectric thus eliminating the need for a second finite-difference calculation. The computational savings for this method range from a factor of 4 for a typical protein to a factor of 103 for small molecules. © 1992 by John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 13 (1992), S. 1114-1118 
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The Poisson-Boltzmann equation can be used to calculate the electrostatic potential field of a molecule surrounded by a solvent containing mobile ions. The Poisson-Boltzmann equation is a non-linear partial differential equation. Finite-difference methods of solving this equation have been restricted to the linearized form of the equation or a finite number of non-linear terms. Here we introduce a method based on a variational formulation of the electrostatic potential and standard multi-dimensional maximization methods that can be used to solve the full non-linear equation. © 1992 by John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
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  • 8
    Publication Date: 2014-09-25
    Description: The marine data set archived at the National Geophysical Data Center (NGDC) consists of shipborne surveys conducted by various institutes worldwide. This data set spans four decades (1953, 1958, 1960-1987), and contains almost 13 million total intensity observations. These are often less than 1 km apart. These typically measure seafloor spreading anomalies with amplitudes of several hundred nanotesla (nT) which, since they originate in the crust, interfere with main field modeling. The source for these short wavelength features are confined within the magnetic crust (i.e., sources above the Curie isotherm). The main field, on the other hand, is of much longer wavelengths and originates within the earth's core. It is desirable to extract the long wavelength information from the marine data set for use in modeling the main field. This can be accomplished by averaging the data along the track. In addition, those data which are measured during periods of magnetic disturbance can be identified and eliminated. Thus, it should be possible to create a data set which has worldwide data distribution, spans several decades, is not contaminated with short wavelengths of the crustal field or with magnetic storm noise, and which is limited enough in size to be manageable for the main field modeling. The along track filtering described above has proved to be an effective means of condensing large numbers of shipborne magnetic data into a manageable and meaningful data set for main field modeling. Its simplicity and ability to adequately handle varying spatial and sampling constraints has outweighed consideration of more sophisticated approaches. This filtering technique also provides the benefits of smoothing out short wavelength crustal anomalies, discarding data recorded during magnetically noisy periods, and assigning reasonable error estimates to be used in the least square modeling. A useful data set now exists which spans 1953-1987.
    Keywords: GEOPHYSICS
    Type: NASA. Goddard Space Flight Center, Types and Characteristics of Data for Geomagnetic Field Modeling; p 149-202
    Format: text
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  • 9
    Publication Date: 2019-07-12
    Description: A previously undocumented effect in the laser-heated diamond anvil cell, namely, the transport of molten species through the sample chamber, over distances large compared to the laser beam diameter, is presented. This effect is exploited to determine the melting behavior of high-pressure silicate assemblages of olivine composition. At pressures where beta-spinel is the phase melted, relative strengths of partitioning can be estimated for the incompatible elements studied. Iron was found to partition into the melt from beta-spinel less strongly than calcium, and slightly more strongly than manganese. At higher pressures, where a silicate perovskite/magnesiowuestite assemblage is melted, it is determined that silicate perovskite is the liquidus phase, with iron-rich magnesiowuestite accumulating at the end of the laser-melted stripe.
    Keywords: GEOPHYSICS
    Type: Geophysical Research Letters (ISSN 0094-8276); 19; 10 M
    Format: text
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  • 10
    Publication Date: 2019-07-13
    Description: Work is continuing on the study of atmospheric gradients. We include a preprint entitled 'The effect of turbulence on atmospheric gradient parameters determined from ground-based radiometric and space geodetic measurements'. Work has begun on a study of solid Earth tidal deformations using the VLBI data set. We have examined deformations at the semi-diurnal tidal period using the IRIS data set.
    Keywords: GEOPHYSICS
    Type: NASA-CR-191902 , NAS 1.26:192902
    Format: application/pdf
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