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.

A spatial sampling optimization package using MSN theory

The density and distribution of spatial samples heavily affect the precision and reliability of estimated population attributes. An optimization method based on Mean of Surface with Nonhomogeneity (MSN) theory has been developed into a computer package with the purpose of improving accuracy in the global estimation of some spatial properties, given a spatial sample distributed over a heterogeneous surface; and in return, for a given variance of estimation, the program can export both the optimal number of sample units needed and their appropriate distribution within a specified research area. (C) 2010 Elsevier Ltd. All rights reserved.

Lattice energy estimation for inorganic ionic crystals

An empirical method based on chemical bond theory for the estimation of the lattice energy for ionic crystals has been proposed. The lattice energy contributions have been partitioned into bond dependent terms. For an individual bond, the lattice energy contribution made by it has been separated into ionic and covalent parts. Our calculated values of lattice energies agree well with available experimental and theoretical values for diverse ionic crystals. This method, which requires detailed crystallographic information and elaborate computation, might be extended and possibly yield further insights with respect to bond properties of materials.

Theoretical estimation of thermodynamic properties of the system PS/PPO on the basis of modified combining rule of Sanchez-Lacombe lattice fluid model

The three scaling parameters described in Sanchez-Lacombe lattice fluid theory (SLLFT), T*, P* and rho* of pure polystyrene (PS), pure poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and their mixtures are obtained by fitting corresponding experimental pressure volume-temperature data with equation-of-state of SLLFT. A modified combining rule in SLLFT used to match the volume per mer, v* of the PS/PPO mixtures was advanced and the enthalpy of mixing and Flory-Huggins (FH) interaction parameter were calculated using the new rule. It is found that the difference between the new rule and the old one presented by Sanchez and Lacombe is quite small in the calculation of the enthalpy of mixing and FH interaction parameter and the effect of volume-combining rule on the calculation of thermodynamic properties is much smaller than that of energy-combining rule. But the relative value of interaction parameter changes much due to the new volume-based combining rule. This effect can affect the position of phase diagram very much, which is reported elsewhere [Macromolecules 34 (2001) 6291]

ESTIMATION OF THE ONE-PHASE STRUCTURE SEMINVARIANTS IN THE SINGLE ISOMORPHOUS REPLACEMENT CASE - AN APPLICATION OF HAUPTMANS DISTRIBUTION

A method for estimating the one-phase structure seminvariants (OPSSs) having values of 0 or pi has been proposed on the basis of the probabilistic theory of the three-phase structure invariants for a pair of isomorphous structures [Hauptman (1982). Acta Cryst. A38, 289-294]. The test calculations using error-free diffraction data of protein cytochrome c(550) and its PtCl42- derivative show that reliable estimates of a number of the OPSSs can be obtained. The reliability of the estimation increases with the increase of the differences between diffraction intensities of the native protein and its heavy-atom derivative. A means to estimate the parameters of the distribution from the diffraction ratio is suggested.