Spatial distribution of soil heavy metal pollution estimated by different interpolation methods: Accuracy and uncertainty analysis

Mapping the spatial distribution of contaminants in soils is the basis of pollution evaluation and risk control. Interpolation methods are extensively applied in the mapping processes to estimate the heavy metal concentrations at unsampled sites. The performances of interpolation methods (inverse distance weighting, local polynomial, ordinary kriging and radial basis functions) were assessed and compared using the root mean square error for cross validation. The results indicated that all interpolation methods provided a high prediction accuracy of the mean concentration of soil heavy metals. However, the classic method based on percentages of polluted samples, gave a pollution area 23.54-41.92% larger than that estimated by interpolation methods. The difference in contaminated area estimation among the four methods reached 6.14%. According to the interpolation results, the spatial uncertainty of polluted areas was mainly located in three types of region: (a) the local maxima concentration region surrounded by low concentration (clean) sites, (b) the local minima concentration region surrounded with highly polluted samples; and (c) the boundaries of the contaminated areas. (C) 2010 Elsevier Ltd. All rights reserved.

Study of remote sensing based parameter uncertainty in Production Efficiency Models

The remote sensing based Production Efficiency Models (PEMs), springs from the concept of "Light Use Efficiency" and has been applied more and more in estimating terrestrial Net Primary Productivity (NPP) regionally and globally. However, global NPP estimates vary greatly among different models in different data sources and handling methods. Because direct observation or measurement of NPP is unavailable at global scale, the precision and reliability of the models cannot be guaranteed. Though, there are ways to improve the accuracy of the models from input parameters. In this study, five remote sensing based PEMs have been compared: CASA, GLO-PEM, TURC, SDBM and VPM. We divided input parameters into three categories, and analyzed the uncertainty of (1) vegetation distribution, (2) fraction of photosynthetically active radiation absorbed by the canopy (fPAR) and (3) light use efficiency (e). Ground measurements of Hulunbeier typical grassland and meteorology measurements were introduced for accuracy evaluation. Results show that a real-time, more accurate vegetation distribution could significantly affect the accuracy of the models, since it's applied directly or indirectly in all models and affects other parameters simultaneously. Higher spatial and spectral resolution remote sensing data may reduce uncertainty of fPAR up to 51.3%, which is essential to improve model accuracy.

Defect evolution and hydrodynamic effects in lamellar ordering process of two-dimensional quenched block copolymers

The effects of hydrodynamic interactions on the lamellar ordering process for two-dimensional quenched block copolymers in the presence of extended defects and the topological defect evolutions in lamellar ordering process are numerically investigated by means of a model based on lattice Boltzmann method and self-consistent field theory. By observing the evolution of the average size of domains, it is found that the domain growth is faster with stronger hydrodynamic effects. The morphological patterns formed also appear different. To study the defect evolution, a defect density is defined and is used to explore the defect evolutions in lamellar ordering process. Our simulation results show that the hydrodynamics effects can reduce the density of defects. With our model, the relations between the Flory-Huggins interaction parameter chi, the length of the polymer chains N, and the defect evolutions are studied.

Extended application of edge-to-edge matching model to HCP/HCP (alpha-Mg/MgZn2) system in magnesium alloys

In the present work, the edge-to-edge matching model has been introduced to predict the orientation relationships (OR) between the MgZn2 phase which has hexagonal close packed (HCP) structure and the HCP a-Mg matrix. Based on the crystal structures and lattice parameters only, the model has predicted the two most preferred ORs and they are: (1) [1 1 2 3](alpha-Mg) vertical bar vertical bar]1 1 2 3](alpha-Mg), (0 0 0 1)(alpha-Mg) 0.27 degrees from (0 0 0 1)(MgZn2), (1 0 1 1)(alpha-Mg) 26.18 degrees from (1 1 2 2)(MgZn2), (2) [1 0 1 0](alpha-Mg),vertical bar vertical bar[1 1 2 0](MgZn2), (0 0 0 1)(alpha-Mg) vertical bar vertical bar(0 0 0 1)(MgZn2), (1 0 1 1)(alpha-Mg) 3.28 degrees from ( 1 1 2 2)(MgZn2). Four experimental ORs have been reported in the alpha-Mg/MgZn2 system, and the most frequently reported one is ideally the OR (2). The other three experimental ORs are near versions of the OR (2). The habit plane of the OR (2) has been predicted and it agrees well with the experimental results.

Extended-chain lamellar packing of poly(3-butylthiophene) in single crystals

We developed an approach, i.e. solvent-assist crystallization (SAC), for growing high quality single crystals of head-to-tail regio-regular poly(3-butylthiophene) (P3BT). By means of atomic force microscopy, electron diffraction and X-ray diffraction, we found that P3BT macromolecules formed lamella single crystals through gradient crystallization, and in the single crystals, molecules packed normal to the lamella with extended-chain conformation with alkyl side chains in the growth front during crystallization.

High-dimensional assembly depending on polyoxoanion templates, metal ion coordination geometries, and a flexible bis(imidazole) ligand

By introducing the flexible 1,1'-(1,4-butanediyl)bis(imidazole) (bbi) ligand into the polyoxovanadate system, five novel polyoxoanion-templated architectures based on [As8V14O42](4-) and [V16O38Cl](6-) building blocks were obtained: [M(bbi)(2)](2)[As8V14O42(H2O)] [M = Co (1), Ni (2), and Zn (3)], [Cu(bbi)](4)[As8V14O42(H2O)] (4), and [Cu(bbi)](6)[V16O38Cl] (5). Compounds 1-3 are isostructural, and they exhibit a binodal (4,6)-connected 2D structure with Schlafli symbol (3(4)center dot 4(2))(3(4)center dot 4(4)center dot 5(4)center dot 6(3))(2), in which the polyoxoanion induces a closed four-membered circuit of M-4(bbi)(4). Compound 4 exhibits an interesting 3D framework constructed from tetradentate [As8V14O42](4-) cluster anions and cationic ladderlike double chains. There exists a bigger M-8(bbi)(6)O-2 circuit in 4. The 3D extended structure of 5 is composed of heptadentate [V16O38Cl](6-) anions and flexural cationic chains; the latter consists of six Cu(bbi) segments arranged alternately. It presents the largest 24-membered circuit of M-24(bbi)(24) so far observed made of bbi molecules and transition-metal cations. Investigation of their structural relations shows the important template role of the polyoxoanions and the synergetic interactions among the polyoxoanions, transition-metal ions, and flexible ligand in the assembly process.

Extended topological indices and prediction of activities of chiral compounds

The activities/properties of two molecules with identical formula but different configuration states of the asymmetric atoms are different. Thus, usually the common topological indices are not suitable. In this study, the chiral topological indices were obtained by extending A(mi) indices suggested by our laboratory and molecular connectivity indices. The modified topologial indices have been used for the studies on D2 for dopamine receptor and a receptor activities of fourteen N-alkylated 3-(3-hydroxypyenyl)-piperidines. It has been observed that selected variables possess low correlations. The results obtained by using multiple regression analysis and artificial neural networks are satisfactory.

Synthesis, electrical properties and crystal structure of a new radical-ion salt based on pi-extended bis(TTF) and a Keggin heteropolymolybdate

By electrocrystallization of 2,6-[4,5-bis(n-butylsulfanyl)-1,3-dithiol-2-ylidene]-4,8-bis(6-iodo-n-hexyloxy)-1,3,5,7-tetrathia-s-indacene (BHBDTI) and [NBu4](4)[SiMo12O40] in the mixed solvent CHCl2CH2Cl and CH3CN, the new radical-ion salt [C42H60Cl2O2S12](2)[SiMo12O40] was prepared. It was characterized by means of IR and ESR spectroscopy and X-ray diffraction. In the crystal structure, organic radical dications and silicomolybdate anions are alternatively arranged along the a axis to form a 1-D conducting layer. The organic layer consists of two isolated groups of BHBDTI divided by the (011) plane without short interatomic contacts. However, in each group, BHBDTI molecules associate with each other in a head to tail manner running along the [011] direction and face-to-face overlapping with a relative shift by approximately one TTF subunit along the long axis of the molecule and a slight shift along the short axis of the molecule with significantly short S ... S contacts. The room-temperature d.c. conductivity determined by the two-probe method is 10(-4) S cm(-1), suggesting that the compound is a semiconductor.

EXTENDED SOLUBILITY AND SPIN-GLASS BEHAVIOR IN A AG-GD SOLID-SOLUTION PREPARED BY MECHANICAL ALLOYING

The effects of mechanical alloying on the solubility in a Ag-Gd solid solution have been investigated. The study shows that the solubility of Gd in Ag can be extended to about 5 at. % Gd by mechanical alloying from the equilibrium solubility of less than 0.95 at. % Gd. Ag85Gd15 prepared by mechanical alloying exhibits a spin-glass-type transition at similar to 5 K. A Curie-Weiss behavior at higher temperatures and x-ray patterns of the material indicate that Gd atoms are either dissolved in the Ag matrix or in the form of small clusters of diameters of a few nanometers;

EXTENDED ADJACENCY MATRIX INDEXES AND THEIR APPLICATIONS

In this paper, new topological indices, EA Sigma and EAmax, are introduced. They are based on the extended adjacency matrices of molecules, in which the influences of factors of heteroatoms and multiple bonds were considered. The results show that EA Sigm

FROM DIMER TO POLYMER .2. EXTENDED TO SYSTEMS POSSESSING 2-FOLD SCREW AXIS OR GLIDE PLANE

The approach for constructing the qualitative band structure of a polymer from corresponding dimer has been extended to the system possessing two-fold screw axis or. glide plane. The classification of energy levels of the dimer in the present case depends on pseudo-symmetry/antisymmetry instead of psendo-in-phase/out-of-phase property of the orbitals. Several typical conductive polymers are then discussed follow this approach. Among them are cis-polyacetylene, polyparaphenylene with a twist ang...

THE DETERMINATION OF STANDARD ELECTROMOTIVE FORCE OF CELL Cu vertical bar CuSO4 vertical bar Hg2SO4-Hg AT DIFFERENT TEMPERATURES

The emfs of Cu|CuSO_4|Hg_2SO_4-Hg were determined at 5 temperature points from 278.15K to 313.15K. Based on the Pitzer' s Equation a polynomial approximation for the determination of standard emf, E_m, was proposed. The values of E_m obtained by author's method agree with values of E_m obtained by the extended Debye-Huckel equation within experimental errors. Compared with the extrapolation result of extended Debye-Huckel equation, the uncertainty by the selecting of parameter of ion size was avoided.By the...

An extended variable-grid global ocean circulation model and its preliminary results of the equatorial Pacific circulation

To investigate the interaction between the tropical Pacific and China seas a variable-grid global ocean circulation model with fine grid[(1/6)degrees] covering the area from 20degreesS to 50degreesN and from 99degrees to 150degreesE is developed. Numerical computation of the annually cyclic circulation fields is performed. The results of the annual mean zonal currents and deep to abyssal western boundary currents in the equatorial Pacific Ocean are reported. The North Equatorial Current,the North Equatorial Countercurrent, the South Equatorial Current and the Equatorial Undercurrent are fairly well simulated. The model well reproduces the northward flowing abyssal western boundary current. From the model results a lower deep western boundary current east of the Bismarck-Solomon-New Hebrides Island chain at depths around 2 000 in has been found. The model results also show that the currents in the equatorial Pacific Ocean have multi-layer structures both in zonal currents and western boundary currents, indicating that the global ocean overturning thermohaline circulation appears of multi-layer pattern.

A kind of extended Korteweg-de Vries equation and solitary wave solutions for interfacial waves in a two-fluid system

This paper considers interfacial waves propagating along the interface between a two-dimensional two-fluid with a flat bottom and a rigid upper boundary. There is a light fluid layer overlying a heavier one in the system, and a small density difference exists between the two layers. It just focuses on the weakly non-linear small amplitude waves by introducing two small independent parameters: the nonlinearity ratio epsilon, represented by the ratio of amplitude to depth, and the dispersion ratio mu, represented by the square of the ratio of depth to wave length, which quantify the relative importance of nonlinearity and dispersion. It derives an extended KdV equation of the interfacial waves using the method adopted by Dullin et al in the study of the surface waves when considering the order up to O(mu(2)). As expected, the equation derived from the present work includes, as special cases, those obtained by Dullin et al for surface waves when the surface tension is neglected. The equation derived using an alternative method here is the same as the equation presented by Choi and Camassa. Also it solves the equation by borrowing the method presented by Marchant used for surface waves, and obtains its asymptotic solitary wave solutions when the weakly nonlinear and weakly dispersive terms are balanced in the extended KdV equation.