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Effective Parameters (effective + parameter)
Selected AbstractsTowards entropy detection of anomalous mass and momentum exchange in incompressible fluid flowINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 11 2002G. F. Naterer An entropy-based approach is presented for assessment of computational accuracy in incompressible flow problems. It is shown that computational entropy can serve as an effective parameter in detecting erroneous or anomalous predictions of mass and momentum transport in the flow field. In the present paper, the fluid flow equations and second law of thermodynamics are discretized by a Galerkin finite-element method with linear, isoparametric triangular elements. It is shown that a weighted entropy residual is closely related to truncation error; this relationship is examined in an application problem involving incompressible flow through a converging channel. In particular, regions exhibiting anomalous flow behaviour, such as under-predicted velocities, appear together with analogous trends in the weighted entropy residual. It is anticipated that entropy-based error detection can provide important steps towards improved accuracy in computational fluid flow. Copyright © 2002 John Wiley & Sons, Ltd. [source] Integration of magnetism and heavy metal chemistry of soils to quantify the environmental pollution in Kathmandu, NepalISLAND ARC, Issue 4 2005Pitambar Gautam Abstract Soil profiles of the Kathmandu urban area exhibit significant variations in magnetic susceptibility (,) and saturation isothermal remanence (SIRM), which can be used to discriminate environmental pollution. Magnetic susceptibility can be used to delineate soil intervals by depth into normal (< 10,7 m3/kg), moderately enhanced (10,7,< 10,6 m3/kg) and highly enhanced (, 10,6 m3/kg). Soils far from roads and industrial sites commonly fall into the ,normal' category. Close to a road corridor, soils at depths of several centimeters have the highest ,, which remains high within the upper 20 cm interval, and decreases with depth through ,moderately magnetic' to ,normal' at approximately 30,40 cm. Soils in the upper parts of profiles in urban recreational parks have moderate ,. Soil SIRM has three components of distinct median acquisition fields (B1/2): soft (30,50 mT, magnetite-like phase), intermediate (120,180 mT, probably maghemite or soft coercivity hematite) and hard (550,600 mT, hematite). Close to the daylight surface, SIRM is dominated by a soft component, implying that urban pollution results in enrichment by a magnetite-like phase. Atomic absorption spectrometry of soils from several profiles for heavy metals reveals remarkable variability (ratio of maximum to minimum contents) of Cu (16.3), Zn (14.8) and Pb (9.3). At Rani Pokhari, several metals are well correlated with ,, as shown by a linear relationship between the logarithmic values. At Ratna Park, however, both , and SIRM show significant positive correlation with Zn, Pb and Cu, but poor and even negative correlation with Fe (Mn), Cr, Ni and Co. Such differences result from a variety of geogenic, pedogenic, biogenic and man-made factors, which vary in time and space. Nevertheless, for soil profiles affected by pollution (basically traffic-related), , exhibits a significant linear relationship with a pollution index based on the contents of some urban elements (Cu, Pb, Zn), and therefore it serves as an effective parameter for quantifying the urban pollution. [source] A Predictive Coarse-Grained Model for Semiflexible Polymers in Specific SolventsMACROMOLECULAR THEORY AND SIMULATIONS, Issue 4 2010Sheng C. Shie Abstract A predictive CG model based on a conventional freely rotating chain was developed to describe semiflexible polymers on a relatively large length/time scale. Parameterization of the model requires only two material properties such as, the Kuhn length and coil density. The diameter of spherical "beads" employed in the model is used as an effective parameter that needs to be determined from preliminary data. Once determined for a particular solvent system, this parameter can then be used to model general solvent systems on a parameter-free basis. Comparison with SANS data on dilute conjugated polymer solutions reveals that the CG polymer model can well describe material properties ranging from local rodlike segments to bulk interchain aggregates. [source] Optimal separation times for electrical field flow fractionation with Couette flowsELECTROPHORESIS, Issue 20 2008Jennifer Pascal Abstract The prediction of optimal times of separation as a function of the applied electrical field and cation valence have been studied for the case of field flow fractionation [Martin M., Giddings J. C., J. Phys. Chem. 1981, 85, 727] with charged solutes. These predictions can be very useful to a priori design or identify optimal operating conditions for a Couette-based device for field flow fractionation when the orthogonal field is an electrical field. Mathematically friendly relationships are obtained by applying the method of spatial averaging to the solute species continuity equation; this is accomplished after the role of the capillary geometrical dimensions on the applied electrical field equations has been assessed [Oyanader M. A., Arce P., Electrophoresis 2005; 26, 2857]. Moreover, explicit analytical expressions are derived for the effective parameters, i.e. diffusivity and convective velocity as functions of the applied (orthogonal) electrical field. These effective transport parameters are used to study the effect of the cation valence of the solutes and of the magnitude of the applied orthogonal electrical field on the values of the optimal time of separation. These parameters play a significant role in controlling the optimal separation time, leading to a family of minimum values, for particular magnitudes of the applied orthogonal electrical field. [source] Role of geometrical dimensions in electrophoresis applications with orthogonal fieldsELECTROPHORESIS, Issue 15 2005Mario A. Oyanader Abstract The role of geometrical dimensions in electrophoresis applications with axial and orthogonal (secondary) electric fields is investigated using a rectangular capillary channel. In particular, the role of the applied orthogonal electrical field in controlling key parameters involved in the effective diffusivity and effective (axial) velocity of the solute is identified. Such mathematically friendly relationships are obtained by applying the method of spatial averaging to the solute species continuity equation; this is accomplished after the role of the capillary geometrical dimensions on the applied electrical field equations has been studied. Moreover, explicit analytical expressions are derived for the effective parameters, i.e., diffusivity and convective velocity as functions of the applied (orthogonal) electric field. Previous attempts (see Sauer et al., 1995) have only led to equations for these parameters that require numerical solution and, therefore, limited the use of such results to practical applications. These may include, for example, the design of separation processes as well as environmental applications such as soil reclamation and wastewater treatment. An illustration of how a secondary electrical field can aid in reducing the optimal separation time is included. [source] Seismic characterization of vertical fractures described as general linear-slip interfacesGEOPHYSICAL PROSPECTING, Issue 2 2003Vladimir Grechka ABSTRACT Fluid flow in many hydrocarbon reservoirs is controlled by aligned fractures which make the medium anisotropic on the scale of seismic wavelength. Applying the linear-slip theory, we investigate seismic signatures of the effective medium produced by a single set of ,general' vertical fractures embedded in a purely isotropic host rock. The generality of our fracture model means the allowance for coupling between the normal (to the fracture plane) stress and the tangential jump in displacement (and vice versa). Despite its low (triclinic) symmetry, the medium is described by just nine independent effective parameters and possesses several distinct features which help to identify the physical model and estimate the fracture compliances and background velocities. For example, the polarization vector of the vertically propagating fast shear wave S1 and the semi-major axis of the S1 -wave normal-moveout (NMO) ellipse from a horizontal reflector always point in the direction of the fracture strike. Moreover, for the S1 -wave both the vertical velocity and the NMO velocity along the fractures are equal to the shear-wave velocity in the host rock. Analysis of seismic signatures in the limit of small fracture weaknesses allows us to select the input data needed for unambiguous fracture characterization. The fracture and background parameters can be estimated using the NMO ellipses from horizontal reflectors and vertical velocities of P-waves and two split S-waves, combined with a portion of the P-wave slowness surface reconstructed from multi-azimuth walkaway vertical seismic profiling (VSP) data. The stability of the parameter-estimation procedure is verified by performing non-linear inversion based on the exact equations. [source] Upscaling of elastic properties for large scale geomechanical simulationsINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 11 2004F. Chalon Abstract Large scale geomechanical simulations are being increasingly used to model the compaction of stress dependent reservoirs, predict the long term integrity of under-ground radioactive waste disposals, and analyse the viability of hot-dry rock geothermal sites. These large scale simulations require the definition of homogenous mechanical properties for each geomechanical cell whereas the rock properties are expected to vary at a smaller scale. Therefore, this paper proposes a new methodology that makes possible to define the equivalent mechanical properties of the geomechanical cells using the fine scale information given in the geological model. This methodology is implemented on a synthetic reservoir case and two upscaling procedures providing the effective elastic properties of the Hooke's law are tested. The first upscaling procedure is an analytical method for perfectly stratified rock mass, whereas the second procedure computes lower and upper bounds of the equivalent properties with no assumption on the small scale heterogeneity distribution. Both procedures are applied to one geomechanical cell extracted from the reservoir structure. The results show that the analytical and numerical upscaling procedures provide accurate estimations of the effective parameters. Furthermore, a large scale simulation using the homogenized properties of each geomechanical cell calculated with the analytical method demonstrates that the overall behaviour of the reservoir structure is well reproduced for two different loading cases. Copyright © 2004 John Wiley & Sons, Ltd. [source] Trace Elemental Analysis of Titanium Dioxide Pigments and Automotive White Paint Fragments for Forensic Examination Using High-Energy Synchrotron Radiation X-Ray Fluorescence Spectrometry,JOURNAL OF FORENSIC SCIENCES, Issue 3 2009Yoshinori Nishiwaki M.S. Abstract:, High-energy synchrotron radiation x-ray fluorescence spectrometry (SR-XRF) utilizing 116 keV x-rays was used to characterize titanium dioxide pigments (rutile) and automotive white paint fragments for forensic examination. The technique allowed analysis of K lines of 9 trace elements in 18 titanium dioxide pigments (rutile), and 10 trace elements in finish coat layers of seven automotive white paint fragments. High-field strength elements (HFSE) were found to strongly reflect the origin of the titanium dioxide (TiO2) pigments, and could be used as effective parameters for discrimination and classification of the pigments and paint fragments. A pairwise comparison of the finish coat layers of seven automotive white paint fragments was performed. The trace elements in the finish coat layers detected by the high-energy SR-XRF were especially effective for identification. By introducing the trace element information of primer and electrocoat layers, all the automotive white paint fragments could be discriminated by this technique. [source] Comparing performances of logistic regression and neural networks for predicting melatonin excretion patterns in the rat exposed to ELF magnetic fieldsBIOELECTROMAGNETICS, Issue 2 2010Samad Jahandideh Abstract Various studies have been reported on the bioeffects of magnetic field exposure; however, no consensus or guideline is available for experimental designs relating to exposure conditions as yet. In this study, logistic regression (LR) and artificial neural networks (ANNs) were used in order to analyze and predict the melatonin excretion patterns in the rat exposed to extremely low frequency magnetic fields (ELF-MF). Subsequently, on a database containing 33 experiments, performances of LR and ANNs were compared through resubstitution and jackknife tests. Predictor variables were more effective parameters and included frequency, polarization, exposure duration, and strength of magnetic fields. Also, five performance measures including accuracy, sensitivity, specificity, Matthew's Correlation Coefficient (MCC) and normalized percentage, better than random (S) were used to evaluate the performance of models. The LR as a conventional model obtained poor prediction performance. Nonetheless, LR distinguished the duration of magnetic fields as a statistically significant parameter. Also, horizontal polarization of magnetic fields with the highest logit coefficient (or parameter estimate) with negative sign was found to be the strongest indicator for experimental designs relating to exposure conditions. This means that each experiment with horizontal polarization of magnetic fields has a higher probability to result in "not changed melatonin level" pattern. On the other hand, ANNs, a more powerful model which has not been introduced in predicting melatonin excretion patterns in the rat exposed to ELF-MF, showed high performance measure values and higher reliability, especially obtaining 0.55 value of MCC through jackknife tests. Obtained results showed that such predictor models are promising and may play a useful role in defining guidelines for experimental designs relating to exposure conditions. In conclusion, analysis of the bioelectromagnetic data could result in finding a relationship between electromagnetic fields and different biological processes. Bioelectromagnetics 31:164,171, 2010. © 2009 Wiley-Liss, Inc. [source] Ribosome motions modulate electrostatic propertiesBIOPOLYMERS, Issue 6 2004Joanna Trylska Abstract The electrostatic properties of the 70S ribosome of Thermus thermophilus were studied qualitatively by solving the Poisson,Boltzmann (PB) equation in aqueous solution and with physiological ionic strength. The electrostatic potential was calculated for conformations of the ribosome derived by recent normal mode analysis (Tama, F., et al. Proc Natl Acad Sci USA 2003 100, 9319,9323) of the ratchet-like reorganization that occurs during translocation (Frank, J.; Agrawal, R. K. Nature 2000 406, 318,322). To solve the PB equation, effective parameters (charges and radii), applicable to a highly charged backbone model of the ribosome, were developed. Regions of positive potential were found at the binding site of the elongation factors G and Tu, as well as where the release factors bind. Large positive potential areas are especially pronounced around the L11 and L6 proteins. The region around the L1 protein is also positively charged, supporting the idea that L1 may interact with the E-site tRNA during its release from the ribosome after translocation. Functional rearrangement of the ribosome leads to electrostatic changes which may help the translocation of the tRNAs during the elongation stage. © 2004 Wiley Periodicals, Inc. Biopolymers, 2004 [source] Theoretical Trends of Diffusion and Reaction into Tubular Nano- and Mesoporous Structures: General Physicochemical and Physicomathematical ModelingCHEMISTRY - A EUROPEAN JOURNAL, Issue 18 2008Christian Amatore Prof. Abstract A general and adaptable physicochemical model is presented to evaluate the mass transport within nanopores of mesoporous particles when the mass transport is coupled to heterogeneous kinetics occurring at active sites located onto the nanopore walls surface. The model framework encompasses almost all situations of practical interest in solutions and may be used for characterizing the kinetic rates and constants controlling the system under different sets of experimental conditions. Furthermore, it allows the delineation of simple effective parameters, which should be most useful for optimizing a given material in view of specific applications. For the sake of clarification the simplified model is presented and its results discussed by specializing it for cases where the reactions involve a simple adsorption of a target species on the nanopore immobilized sites as observed for inorganic sponges used in water decontamination. Yet it may easily be extended further to encompass a wider variety of situations where the sites immobilized onto the nanopore walls perform chemical or biochemical transformations as occur in supported catalysis in liquid solution. [source] | |||||||||||||||||||