Calculation of the bulk modulus of simple and complex crystals with the chemical bond method

The relation between the lattice energies and the bulk moduli on binary inorganic crystals was studied, and the concept of lattice energy density is introduced. We find that the lattice energy densities are in good linear relation with the bulk moduli in the same type of crystals, the slopes of fitting lines for various types of crystals are related to the valence and coordination number of cations of crystals, and the empirical expression of calculated slope is obtained. From crystal structure, the calculated results are in very good agreement with the experimental values. At the same time, by means of the dielectric theory of the chemical bond and the calculating method of the lattice energy of complex crystals, the estimative method of the bulk modulus of complex crystals was established reasonably, and the calculated results are in very good agreement with the experimental values.

Formation of nonextinct ring-banded textures and multistacked lamella of tetra-aniline-block-poly(L-lactide) rod-coil diblock oligomer films induced by solvent vapor treatment

The self-assembly processes of the rod-coil diblock oligomer thin film of tetra-aniline (TANI)-block-poly(L-lactide) (PLLA) with different film thicknesses induced in the coil-selective solvent of acetone vapor at room temperature were studied. The morphologies of the oligomer films were determined by the film thickness. For the thicker film (232 nm), the nonextinct concentric ring-banded textures could form. While for the thinner and appropriate film (about 6 nm), multistacked diamond-shaped appearances with the periodic thickness being about 8.5 nm(6-nm-thick extended PLLA chain and 2.5-nm-thick p-pi conjugating TANI bimolecular layer) formed. The possible formation models of those two regular morphologies were presented in detail.

Chinese herb medicines analyses by capillary electrophoresis with amperometric detection

Capillary electrophoresis (CE) with amperometric detection (AD) has been widely used in various fields of analytical science, especially in the pharmaceutical industry recently due to its high separation efficiency and low detection limit. The determination of active ingredients in Chinese herb medicines by CE-AD is of great importance in developing the researches on pharmacology of herbs, quantitative analysis and quality control. Analyses of the effective components in Chinese herb medicines and compound Chinese herb medicine by CE-AD are reviewed in this paper. In contrast with other analysis methods, the advantage of CE-AD is discussed. The development in analyses of traditional Chinese medicine (TCM) by CE-AD in future is mentioned.

毛细管电泳安培检测法在中草药分析中的应用

Capillary electrophoresis (CE) with amperometric detection (AD) has been widely used in various fields of analytical science, especially in the pharmaceutical industry recently due to its high separation efficiency and low detection limit. The determination of active ingredients in Chinese herb medicines by CE-AD is of great importance in developing the researches on pharmacology of herbs, quantitative analysis and quality control. Analyses of the effective components in Chinese herb medicines and compound Chinese herb medicine by CE-AD are reviewed in this paper. In contrast with other analysis methods, the advantage of CE-AD is discussed. The development in analyses of traditional Chinese medicine (TCM) by CE-AD in future is mentioned.

Hardness of covalent crystals

Based on the idea that the hardness of covalent crystal is intrinsic and equivalent to the sum of the resistance to the indenter of each bond per unit area, a semiempirical method for the evaluation of hardness of multicomponent crystals is presented. Applied to beta-BC2N crystal, the predicted value of hardness is in good agreement with the experimental value. It is found that bond density or electronic density, bond length, and degree of covalent bonding are three determinative factors for the hardness of a polar covalent crystal. Our method offers the advantage of applicability to a broad class of materials and initializes a link between macroscopic property and electronic structure from first principles calculation.

Excimer-laser irradiated polyimide films as temperature-sensitive materials

The temperature dependence of the resistivity of KrF laser irradiated polyimide films was studied. In all cases, the resistivity decreased with increasing temperature. The irradiated polyimide film exhibited a typical semiconducting property. This result indicated that the irradiated polyimide films can be used as temperature-sensitive materials. We demonstrated that both the sensitivity and the sensitive temperature range of the irradiated polyimide films can be altered by adjusting laser irradiation parameters. The intrinsic relationship between the temperature coefficient of the resistivity and irradiation condition was interpreted in terms of the microstructural change. The result provided a new insight into the fundamental aspects of laser irradiated polyimide film structure and a method of preparing temperature-sensitive materials. (C) 2000 Elsevier Science B.V. All rights reserved.

Addition reactions of nitrones on the reconstructed C(100)-2 x 1 surfaces

In this paper, the reactions of nitrone, N-methyl nitrone, N-phenyl nitrone and their hydroxylamine tautomers (vinyl-hydroxylamine, N-methyl-vinyl-hydroxylamine and N-phenyl-vinyl-hydroxylamine) on the reconstructed C(100)-2 x 1 surface have been investigated using hybrid density functional theory (B3LYP), Moller-Plesset second-order perturbation (MP2) and multi-configuration complete-active-space self-consistent-field (CASSCF) methods. The calculations showed that all the nitrones can react with the surface "dimer" via facile 1.3-dipolar cycloaddition with small activation barriers (less than 12.0 kJ/mol at B3LYP/6-31g(d) level). The [2+2] cycloaddition of hydroxylamine tautomers on the C(100) surface follows a diradical mechanism. Hydroxylamine tautomers first form diradical intermediates with the reconstructed C(I 00)-2 x I surface by overcoming a large activation barrier of 50-60 kJ/mol (B3LYP), then generate [2+2] cycloaddition products via diradical transition states with negligible activation barriers. The surface reactions result in hydroxyl or amino-terminated diamond surfaces, which offers new opportunity for further modifications. (C) 2007 Elsevier B.V. All rights reserved.

松辽盆地南部腰英台区块低渗透储层整体压裂改造技术研究

The Yaoyingtai Block is located within the northeastern Changling Depression of southern Songliao Basin, where the reservoir sandstones are petrophysically characterized by very low permeability, which results in the low success probability of artificial fracturing, and the low oil yield by water injection in the course of oil production. In order to improve the situations as stated above, this research aims to work out an integral fracturing technology and strategy applicable to the low permeable reservoirs in Yaoyingtai Block. Under the guidance of geological theory, reservoir engineering and technology, the subsurface occurrences of natural and hydraulic fractures in the reservoirs are expected to be delineated, and appropriate fracturing fluids and proppants are to be optimized, based on the data of drilling, well logging, laboratory and field experiments, and geological data. These approaches lay the basis of the integral fracturing technology suitable for the low permeable reservoir in the study area. Based on core sample test, in-situ stress analysis of well logging, and forward and inversion stress field modeling, as well as fluid dynamic analysis, the maximum in-situ stress field is unraveled to be extended nearly along the E-W direction (clustering along N85-135°E) as is demonstrated by the E-W trending tensional fractures. Hydraulic fractures are distributed approximately along the E-W direction as well. Faulting activities could have exerted obvious influences on the distribution of fractures, which were preferentially developed along fault zones. Based on reservoir sensitivity analysis, integrated with studies on rock mechanics, in-situ stress, natural fracture distribution and production in injection-production pilot area, the influences of primary fractures on fracturing operation are analyzed, and a diagnostic technology for primary fractures during depressurization is accordingly developed. An appropriate fracturing fluid (hydroxypropyl guar gum) and a proppant (Yixing ceramsite, with a moderate-density, 0.45-0.9mm in size) applicable to Qingshankou Formation reservoir are worked out through extensive optimization analysis. The fracturing fluid can decrease the damage to the oil reservoir, and the friction in fracturing operation, improving the effect of fracturing operation. Some problems, such as sand-out at early stage and low success rate of fracturing operations, have been effectively solved, through pre-fracturing formation evaluation, “suspension plug” fracturing, real-time monitoring and limited-flow fracturing. Through analysis of fracture-bearing tight reservoir with variable densities and dynamic analysis of influences of well patterns on fracturing by using numerical simulation, a fracturing operation scheme for the Qingshankou Formation reservoir is proposed here as being better to compress the short factures, rather than to compress the long fractures during hydraulic fracturing. It is suggested to adopt the 450m×150m inverted 9-spot well pattern in a diamond shape with wells placed parallel to fractures and a half fracture length of 60-75m.