Correlation analysis of the structures and gas-liquid chromatographic retention indices of amines

Quantitative structure-retention relationship(QSRR) was studied for amines to gas-liquid chromatography on three stationary phases of different polarities with the topological indices A(m) (A(m1), A(m2), A(m3)) and gravitational index GI. The algorithm of "Leaps and Bounds" was performed for selection of the variables. And the multi-regression and the quasi-Newton neural networks were employed for the calculation with better results.

Correlation analysis of the structures and stability constants of gadolinium(III) complexes

To simplify the abstraction of descriptors, for the correlation analysis of the stability constants of gadolinium(III) complexes and their ligand structures, aiming at gadolinium(III) complexes, we only considered the ligands and ignored the common parts of the structures, i.e., the metal ions. Quantum-chemical descriptors and topological indices were calculated to describe the structures of the ligands. Multiple regression analysis and neural networks were applied to construct the models between the ligands and the stability constants of gadolinium(III) complexes and satisfactory results were obtained.

Study on structure-property relationships between color reagents and sensitivity of color reactions with yttrium by topological indices

In this paper, three topological indices, Am-1, Am-2, and Am-3, multivariate analysis in structure-property studies. The topological indices of twenty asymmetrical phosphosphono bisazo derivatives of chromotropic acid have been calculated. The structure-property relationships between color reagents and molar absorptivity of color reactions with yttrium have been studied by A(m) indices and structure selective factors. Good results have been obtained by using correlation equation to predict the molar absorptivity of new color reagents.

A new method of predicting of gas chromatographic retention indices for polychlorinated dibenzofurans (PCDFs)

A new method has been developed to describe the quantitative relationship between molecular structures of PCDFs and their gas chromatographic retention indices on a 30-m fused silica column coated with DB-5 stationary phase. The regression equation is derived with a multiple correlation coefficient greater than 0.9995. The highest residual is 20 index units. The standard deviation is less than 7 index units. Using this regression equation, the retention indices of PCDFs for which data is not available have also been predicted. (C) 2000 Elsevier Science Ltd. All rights reserved.

Correlation between Discharging Property and Coatings Microstructure during Plasma Electrolytic Oxidation

The voltage-current properties during plasma electrolytic discharge were determined by measuring the current density and cell voltage as functions of processing time and then by mathematical transformation. Correlation between discharge I-V property and the coatings microstructure on aluminum alloy during plasma electrolfic oxidation was determined by comparing the voltage-current properties at different process stages with SEM results of the corresponding coatings. The results show that the uniform passive film corresponds to a I-V property with one critical voltage, and a compound of porous layer and shred ceramic particles corresponds to a I-Vproperty with two critical voltages. The growth regularity of PEO cermet coatings was also studied.

A Novel Inverse Method For Determining The Refractive Indices Of Medium And Dispersed Particles Simultaneously By Turbidity Measurement

The refractive indices of particles and dispersion medium are important parameters in many colloidal experiments using optical techniques, such as turbidity and light scattering measurements. These data are in general wavelength-dependent and may not be available at some wavelengths fitting to the experimental requirement. in this Study we present a novel approach to inversely determine the refractive indices of particles and dispersion medium by examining the consistency of measured extinction cross sections of particles with their theoretical values using a series of trial values of the refractive indices. The colloidal suspension of polystyrene particles dispersed in water was used as an example to demonstrate how this approach works and the data obtained via such a method are compared with those reported in literature, showing a good agreement between both. Furthermore, the factors that affect the accuracy of measurements are discussed. We also present some data of the refractive indices of polystyrene over a range of wavelengths smaller than 400 nm that have been not reported in the available literature. (C) 2008 Elsevier Inc. All rights reserved.

Long-range automaton models of earthquakes: Power-law accelerations, correlation evolution, and mode-switching

We introduce a conceptual model for the in-plane physics of an earthquake fault. The model employs cellular automaton techniques to simulate tectonic loading, earthquake rupture, and strain redistribution. The impact of a hypothetical crustal elastodynamic Green's function is approximated by a long-range strain redistribution law with a r(-p) dependance. We investigate the influence of the effective elastodynamic interaction range upon the dynamical behaviour of the model by conducting experiments with different values of the exponent (p). The results indicate that this model has two distinct, stable modes of behaviour. The first mode produces a characteristic earthquake distribution with moderate to large events preceeded by an interval of time in which the rate of energy release accelerates. A correlation function analysis reveals that accelerating sequences are associated with a systematic, global evolution of strain energy correlations within the system. The second stable mode produces Gutenberg-Richter statistics, with near-linear energy release and no significant global correlation evolution. A model with effectively short-range interactions preferentially displays Gutenberg-Richter behaviour. However, models with long-range interactions appear to switch between the characteristic and GR modes. As the range of elastodynamic interactions is increased, characteristic behaviour begins to dominate GR behaviour. These models demonstrate that evolution of strain energy correlations may occur within systems with a fixed elastodynamic interaction range. Supposing that similar mode-switching dynamical behaviour occurs within earthquake faults then intermediate-term forecasting of large earthquakes may be feasible for some earthquakes but not for others, in alignment with certain empirical seismological observations. Further numerical investigation of dynamical models of this type may lead to advances in earthquake forecasting research and theoretical seismology.

Estimation of Correlation Distance of Soil Properties by Geostatistics

Random field theory has been used to model the spatial average soil properties, whereas the most widely used, geostatistics, on which also based a common basis (covariance function) has been successfully used to model and estimate natural resource since 1960s. Therefore, geostistics should in principle be an efficient way to model soil spatial variability Based on this, the paper presents an alternative approach to estimate the scale of fluctuation or correlation distance of a soil stratum by geostatistics. The procedure includes four steps calculating experimental variogram from measured data, selecting a suited theoretical variogram model, fitting the theoretical one to the experimental variogram, taking the parameters within the theoretical model obtained from optimization into a simple and finite correlation distance 6 relationship to the range a. The paper also gives eight typical expressions between a and b. Finally, a practical example was presented for showing the methodology.

Intrinsic correlation between fragility and bulk modulus in metallic glasses

A systematic study on the available data of 26 metallic glasses shows that there is an intrinsic correlation between fragility of a liquid and bulk modulus of its glass. The underlying physics can be rationalized within the formalism of potential energy landscape thermodynamics. It is surprising to find that the linear correlation between the fragility and the bulk-shear modulus ratio exists strictly at either absolute zero temperature or very high frequency. Further analyses indicate that a real flow event in bulk metallic glasses is shear dominant, and fragility is in inverse proportion to shear-induced bulk dilatation. Finally, extension of these findings to nonmetallic glasses is discussed.

Intrinsic correlation between dilatation and pressure sensitivity of plastic flow in metallic glasses

Taking shear-induced dilatation into consideration in shear transformation zone (STZ) operations, we derive a new yield criterion that reflects the pressure sensitivity in plastic flow in metallic glasses (MGs), which agrees well with experiments. Furthermore, an intrinsic theoretical correlation between the pressure sensitivity coefficient and the dilatation factor is revealed. It is found that the pressure sensitivity of plastic flow of MGs originates in the dilatation of microscale STZs.

MEASUREMENT OF SOLID SLURRY FLOW VIA CORRELATION OF ELECTROMAGNETIC FLOW METER, ELECTRICAL RESISTANCE TOMOGRAPHY AND MECHANISTIC MODELLING

The study presented here was carried out to obtain the actual solids flow rate by the combination of electrical resistance tomography and electromagnetic flow meter. A new in-situ measurement method based on measurements of the Electromagnetic Flow Meters (EFM) and Electrical Resistance Tomography (ERT) to study the flow rates of individual phases in a vertical flow was proposed. The study was based on laboratory experiments that were carried out with a 50 mm vertical flow rig for a number of sand concentrations and different mixture velocities. A range of sand slurries with median particle size from 212 mu m to 355 mu m was tested. The solid concentration by volume covered was 5% and 15%, and the corresponding density of 5% was 1078 kg/m(3) and of 15% was 1238 kg/m(3). The flow velocity was between 1.5 m/s and 3.0 m/s. A total of 6 experimental tests were conducted. The equivalent liquid model was adopted to validate in-situ volumetric solids fraction and calculate the slip velocity. The results show that the ERT technique can be used in conjunction with an electromagnetic flow meter as a way of measurement of slurry flow rate in a vertical pipe flow. However it should be emphasized that the EFM results must be treated with reservation when the flow pattern at the EFM mounting position is a non-homogenous flow. The flow rate obtained by the EFM should be corrected considering the slip velocity and the flow pattern.

Absolute measurement of roughness and lateral-correlation length of random surfaces by use of the simplified model of image-speckle contrast

We present a method of image-speckle contrast for the nonprecalibration measurement of the root-mean-square roughness and the lateral-correlation length of random surfaces with Gaussian correlation. We use the simplified model of the speckle fields produced by the weak scattering object in the theoretical analysis. The explicit mathematical relation shows that the saturation value of the image-speckle contrast at a large aperture radius determines the roughness, while the variation of the contrast with the aperture radius determines the lateral-correlation length. In the experimental performance, we specially fabricate the random surface samples with Gaussian correlation. The square of the image-speckle contrast is measured versus the radius of the aperture in the 4f system, and the roughness and the lateral-correlation length are extracted by fitting the theoretical result to the experimental data. Comparison of the measurement with that by an atomic force microscope shows our method has a satisfying accuracy. (C) 2002 Optical Society of America.

Ghost imaging with thermal light by third-order correlation

Ghost imaging with classical incoherent light by third-order correlation is investigated. We discuss the similarities and the differences between ghost imaging by third-order correlation and by second-order correlation, and analyze the effect from each correlation part of the third-order correlation function on the imaging process. It is shown that the third-order correlated imaging includes richer correlated imaging effects than the second-order correlated one, while the imaging information originates mainly from the correlation of the intensity fluctuations between the test detector and each reference detector, as does ghost imaging by second-order correlation.