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김영수,박진식,장성호,장부규,서정민,김장호 동아대학교 환경문제연구소 1996 硏究報告 Vol.19 No.2
This study was carried out to investigate the performance enhancement of forced oxidation operation on the limestone utilization and SO₂ removal efficiency of the pilot flue gas desulfurization system. The results are as follows : 1. The results of the forced oxidation tests have shown that converting from natural to forced oxidation operation can have a significant effect on both limestone utilization and SO₂ removal efficiency of an FGD system. Conversely, if the limestone utilization is maintained at a constant level, the SO₂ removal efficiency will increase. Conversely, if the pH is held constant, the limestone utilization will increase significantly. 2. This characteristic of a forced oxidation system can translate into lower L/G requirements and, therefore, reduced capital and operating costs for slurry recycle pumps. 3. Forced oxidation operation will provide improved limestone utilization and, therefore. reduced limestone reagent costs.
Pu Su Zhao,Yu Feng Li,Huan Mei Guo,Fang Fang Jian*,Xian Wang 대한화학회 2007 Bulletin of the Korean Chemical Society Vol.28 No.9
1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between , , and temperature.
Quantum Chemical Studies on Nicotinato Lead(II) Complex [Pb(II)(C5H4NCOO)2]
Pu Su Zhao*,Rong Qing Li,Jie Song,Meng Ping Guo 대한화학회 2008 Bulletin of the Korean Chemical Society Vol.29 No.3
The title compound of nicotinato lead(II) complex [Pb(C5H4NCOO)2] has been optimized at B3LYP/LANL2DZ and HF/LANL2DZ levels of theory. The calculated results show that the lead(II) ion adopts 2-coordinate geometry, which is the same as its crystal structure and different from the 4-coordinate geometry of isonicotinato lead(II) complex. Atomic charge distributions indicate that during forming the title compound, each nicotinic acid ion transfers their negative charges to central lead(II) ion. The electronic spectra calculated by B3LYP/LANL2DZ level show that there exist two absorption bands, which have some red shifts compared with those of isonicotinato lead(II) complex and the electronic transitions are mainly derived from intraligand π-π* transition and ligand-to-metal charge transfer (LMCT) transition. CIS-HF method is not suitable for the system studied here. The thermodynamic properties of the title compound at different temperatures have been calculated and corresponding relations between the properties and temperature have also been obtained. The second order optical nonlinearity was calculated, and the molecular hyperpolarizability was 1.147754 ´ 10^30 esu.
Pu Su Zhao,Lu De Lu,Fang Fang Jian Korean Chemical Society 2003 대한화학회지 Vol.47 No.4
The crystal structure of $[Co(phen)_2(Cl)(H_2O)] Clㆍ2H_2O$(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P1, with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)${\AA}$ ${\alpha}$=64.02(1), ${\beta}$=86.364(9), ${\gamma}=78.58(2)^°$, and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33${\AA}$). The intermolecular hydrogen bonds connect the $[Co(phen)_2(Cl)(H_2O)]1+,\;H_2O$ moieties and chloride ion. $[Co(phen)_2(Cl)(H_2O)] Clㆍ2H_2O$(phen=1,10-phenanthroline)의 결정구조는 X-ray에 의하여 결정되었다. 그 결정은 a=9.662(2), b=11.445(1), c=13.037(2)${\AA}$ ${\alpha}$=64.02(1), ${\beta}$=86.364(9), ${\gamma}=78.58(2)^°$ 그리고 Z=2의 격자인자를 갖는 triclinic계와 space group이 P1의 구조로 결정화 되었다. 배위된 양이온은 두개의 Phen 리간드, 하나의 chloride이온과 하나의 $H_2O$ 리간드가 cis 배열로 킬레이크된 6배위 코발트 원자가 포함된다. 코발트에 배위된 chloride에 더해서, 결정구조를 이루는 하나의 chloride이온과 네개의 물분자가 있다. 고체상태에서, 제목의 화합물은 수소결합을 통하여 3차원 그물구조를 갖는다.
Pu Su Zhao,Zhi Yan Guo,Jing Sui,Jing Wang,Fang Fang Jian 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.1
A dinuclear copper(II) complex of [Cu_2(aceace)4(dipyph)] [aceace = acetylacetone, dipyph = 1,4-di(4-pyridylethene-2-yl-)benzene] has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters a = 7.9584(16) Å, b =18.594(4) Å, c = 15.063(4) Å, β = 120.97(2)^o and Mr = 807.85 (C_40H_44Cu_2N_2O_8), Z = 2. Each of the Cu^2+ ion adopts a square pyramid geometry and coordinates with four oxygen atoms from two aceace ligands and one nitrogen atom from dipyph bidentate ligand. Magnetic measurement shows that the Weiss constant and Curie constant for the title compound are ‒0.22 K and 0.1154 emu·K/mol, respectively. Thermal stability data indicate that the title complex undergoes two steps decomposition and the residue is Cu_2O_4. In the potential range of ‒1.5 ~ 0.8 V, the title complex represents an irreversible electrochemical process.
Pu Su Zhao,Xiu Mei Gao,Feng Xia Zhu,Xin Ming Hu,Lili Zhang 대한화학회 2018 Bulletin of the Korean Chemical Society Vol.39 No.3
Hierarchical layer-by-layer quadrangle CeO2 was prepared through ultrasonic-assisted solution-phase synthesis strategy using cerium oxalate as the precursor. The as-prepared mesoporous CeO2 displayed a surface area of 98.7 m2 g−1 and pore diameters of 2.0–10.0 nm. The high-resolution TEM image revealed that the layer structures of the CeO2 were made of numerous nanocrystal particles with the crystallite size of about 13–15 nm. High energy and cavitation of ultrasonic wave assists cerium oxalate precursor in building the layer-by-layer quadrangle staking. UV–vis absorption spectrum showed that the direct allowed transition bandgap energy for the as-prepared CeO2 was 2.91 eV. Moreover, the CeO2 exhibited good photocatalytic property for degrading Rhodamine B solution under UV radiation.