地理信息系统城市地下水管理模型研究

许多城市不同程度地存在区域性的地下水水位下降、水质恶化等问题,因此应用先进的理论和方法,确切评价及管理地下水资源,是当前城市供水中亟待解决的问题。地理信息系统（ＧＩＳ）作为一种新兴的空间信息技术系统,广泛应用于资源管理、环境监测、市政规划等许多方面,被越来越多的国家地区部门所重视,并得到了人们的认可。所以,为了更好地研究管理城市地下水资源问题,本文使用ＧＩＳ与数值模型相结合的方法,建立了ＧＩＳ城市地下水管理模型,并应用于某市的实际工作,取到较好的效果。建立的模型有一定的推广价值。     

Atomic-absorption spectrometric determination of cobalt,nickel, and copper in geological materials with matrix masking and chelation-extraction

An atomic-absorption spectrometric method is reported for the determination of cobalt, nickel, and copper in a variety of geological materials including iron- and manganese-rich, and calcareous samples. The sample is decomposed with HP-HNO₃ and the residue is dissolved in hydrochloric acid. Ammonium fluoride is added to mask iron and 'aluminum. After adjustment to pH 6, cobalt, nickel, and copper are chelated with sodium diethyl-dithiocarbamate and extracted into methyl isobutyl ketone. The sample is set aside for 24 h before analysis to remove interferences from manganese. For a 0.200-g sample, the limits of determination are 5–1000 ppm for Co, Ni, and Cu. As much as 50% Fe, 25% Mn or Ca, 20% Al and 10% Na, K, or Mg in the sample either individually or in various combinations do not interfere. Results obtained on five U.S. Geological Survey rock standards are in general agreement with values reported in the literature.     

Vibrational analyses of silacyclopentanes

The complete infrared and Raman spectra of 1,1-difluoro-1-silacyclopentane and 1,1-dichloro-1-silacyclopentane have been recorded and analyzed. Furthermore, a number of the vibrational frequencies of the silacyclopentane and silacyclopentane-1, 1-d₂ molecules have been reassigned.A normal coordinate calculation for each of these molecules was carried out and this demonstrated the validity of the assignments. Considerable mixing of the modes was found especially where ring vibrations and SiX₂ motions were involved.     

An alternative multipolar expansion for intermolecular potential functions

We have derived a new multipolar expansion for intermolecular potential-energy functions with applications in molecular physics, theoretical chemistry, and mathematical physics. The new formulation employs a separation of radial and angular terms with a simple index structure that leads to computational efficiency and ease of physical interpretation. For the case of the Coulomb interaction, we compare the present formulation with two conventional multipole expansions: the Cartesian tensor and the irreducible spherical tensor expansions. The new formalism leads to efficient numerical algorithms that are useful for general applications beyond intermolecular potentials. In addition to the electrostatic Coulomb interaction, we illustrate the formalism with applications to special function theory and a bipolar expansion involved in potential theory.     

Effect of diffusion on rates and molecular weights in graft polymerization

A theoretical analysis has been made of the graft polymerization process in terms of the quantitative interrelationship between the initiation rate R_i, the k_p/k_t^1/ ratio of the monomer, the equilibrium solubility M of the monomer in the polymer, the polymer film thickness L, and the diffusivity D of the monomer in the polymer. It is shown how the values of these parameters in any grafting system interact to lead to diffusion-controlled graft polymerization. Whether graft polymerization is diffusion-free or diffusion-controlled depends on the values of K_p, d, k_p/k_p^1/2, and L as gathered in the parameter A = [(K_p/k_t^1/2)R_i, D,/^1/2] L/2. When the values of the various terms are such that A is less than 0.1 (i.e., D is large while R_i, k_p, and L are small), the reaction is diffusion-free. When A is greater than 3 (i.e., D is small while R_i, k_p, and L are large), the reaction is diffusion-controlled. The derived equations showing the relationship between kinetic and diffusional parameters are theoretically applicable to all grafting systems, i.e., for all monomer-polymer combinations under all conditions of reaction temperature, radiation intensity and polymer film thickness. The theoretical analysis has been verified for the rate and degree of polymerization for the radiation-induced graft polymerization of styrene to polyethylene.     

Silicon-29 NMR Study of Alkali-Exchanged NaY Zeolites

High-resolution solid-state ²⁹Si NMR has been applied to the study of partially exchanged Li, K, and Cs NaY zeolites. The order of the ²⁹Si chemical shifts of dehydrated samples is Li, Na-Y < Na-Y < K, Na-Y. The correlation between the ²⁹Si chemical shift and the Li or K loading on Li, Na-Y or K, Na-Y was rationalized in terms of the interaction between the framework and the cations inside the small cages. Because of the restrictive migration of large Cs⁺ ions from the supercages to the small cages, the ²⁹Si chemical shift of Cs, Na-Y was found to be similar to that of Na-Y.