用X射线衍射新方法研究高浓碳酸盐水溶液的结构

The interaction between carbonate anion and water molecules is not only an essential issue in the studies in the physicochemical properties and the separation techniques of salts in carbonate salt lakes in the molecular level, but also is a main clue run through atmosphere, hydrosphere, lithosphere, and biosphere equilibrium especially metabolism equilibrium process of living being to expound the structural rootstocks. X-ray diffraction studies on the structure of solutions in Li2SO4-H2O system at 25℃ have been accomplish accomplished in the project; X-ray diffraction studies on the structure of unsaturated solutions in Na2CO3-H2O system at 25 and 50℃ and of supersaturated solutions at 20℃ have been fulfilled; X-ray diffraction studies on the structure of unsaturated solutions in K2CO3-H2O system at 25 and 50℃ have been finished; To assist the diffraction study, a Raman spectra experiment to qualitatively determine the contact ion-pair has been developed; To match the model calculations, the species distribution in the concentrated solution was further investigated by using the stoichiometric equilibrium constant or thermodynamic equilibrium constant; For the partial radial distribution function cannot be directly obtained from observed diffraction intensity, a separation study of some overlapping peaks on RDF curve has been carried out by Gaussian-Lorentzin algorithm. The publications of papers were delayed owing to some exploratory research of aqueous carbonate solutions.

本课题拟用X射线衍射新方法，开展对锂钠钾碳酸盐高浓或过饱和溶液结构研究，精确测ㄈ芤航峁购途断蚍植己ü峁鼓Ｐ投考扑闼侠胱印⒗胱佣宰?次近原子核间距、最/次近相邻原子数和键角等结构参数。本课题是对水溶液体系分子水平的研究，是研刻妓嵫窝魏锘灾省⒀卫喾掷胩崛〖际醯裙丶∥侍狻