Acta Physico-Chimica Sinica
Acta Physico-Chimica Sinica
2005 Vol. 21,No. 04
Published:15 April 2005
Date of publication: 15 April 2005
Conductance of a Single Conducting Polyaniline Nanowire
CAI Cheng-Dong; ZHOU Jian-Zhang; QI Li; XI Yan-Yan; LAN Bi-Bo; WU Ling-Ling; LIN Zhong-Hua
The combination of template synthesis method of nanowire/nanotube and conductive atomic force microscopy (C-AFM) is an e...
2005, 21 (04): 343 -346
A Simulation Study for Effects of Cooling Rate on Evolution of Microstructures during Solidification Process of Liquid Metal Ni
ZHANG Ai-Long; LIU Rang-Su; LIANG Jia; ZHENG Cai-Xing
A simulation study has been performed for the evolutions of microstructures in a liquid metal Ni system during solidific...
2005, 21 (04): 347 -353
A Study on the Coordination Chemistry of Calixcrowns with Metal Ions in Solution by NMR and XAFS
GAO Jian-Xun; WANG Jian-Chen; SONG Chong-Li; LIU Tao; HU Tian-Dou; XIE Ya-Ning; YANG Huai
In order to study the coordination chemistry of calixcrowns in solution, the single crystals of 25,27-bis-octyloxy-calix...
2005, 21 (04): 354 -359
Study on the Cis/trans-isomerism of Alkenes by Topological Approach
CAO Chen-Zhong; YUAN Hua
The distances among the vertices spaced by the double bond are different in the cis-alkenes from those in its trans-isom...
2005, 21 (04): 360 -366
Study on the Reaction Mechanism of Chlorobenzene with Nitrous Acid in Atmospheric Aqueous Phases Initiated by Irradiation of 355 nm UV Light
ZHU Cheng-Zhu; ZHAGN Ren-Xi; FANG Hao-Jie; ZHAO Qing-Xiang; HOU Hui-Qi
The reaction microscopic mechanism of aqueous solution of chlorobenzene with nitrous acid in the presence of O2 and abse...
2005, 21 (04): 367 -371
The Prediction of Caco-2 Permeation Based on Genetic Algorithm
HUANG Qin; HOU Ting -Jun; XU Xiao-Jie
In current work, the correlations between Caco-2 permeability(lgPeff) and molecular structures were investigated using g...
2005, 21 (04): 372 -377
Surface Photoinduced Charge Separation and Photocatalytic Activity of Sn Doped TiO
JING Li-Qiang; FU Hong-Gang; WANG De-Jun; WEI Xiao; SUN Jia-Zhong
In this paper, different Sn doped TiO2 nanoparticles were prepared by a sol-gel method, and were mainly characterized by...
2005, 21 (04): 378 -382
DFT Studies on Reaction Mechanism of the Double Bond Isomerization of Butene Catalyzed by 1-ethyl-3-methyl-imidazolium of the Ionic Liquid (II)
PU Min; CHEN Biao-Hua; LI Hui-Ying; LIU Kun-Hui
The possible reaction paths of butene isomerization catalyzed by 4-H and 5-H of 1-ethyl-3-methyl-imidazolium (EMIM+) hav...
2005, 21 (04): 383 -387
QCT Calculation Study of Collisional Energy Transfer of Highly Vibrationally Excited Pyrazine
ZHOU Jian-Hua; MA Wan-Yong; JIANG Hai-Hui; ZHANG Ji-Ming; WANG Shao-Kun; GU Yue-Shu
Quasiclassical trajectory calculations (QCT) of the energy transfer between highly vibrationally excited pyrazine (C4N2H...
2005, 21 (04): 388 -391
Chemiluminescence of Alkyl Bromides Reaction with Active Nitrogen
TANG Xiao-Shuan; WANG Hong-Mei; HAN Hai-Yan; LI Jian-Quan; JIN Shun-Ping; HUANG Guo-Dong; CHU Yan-Nan; ZHANG Wei-Jun; ZHOU Shi-Kang
Active nitrogen has been prepared by hollow-cathode discharge of N2 in a flowing afterglow system. Strong emission spect...
2005, 21 (04): 392 -396
Research on the Enhanced Conductivity of Poly(ethylene oxide) Electrolyte by Adding Zeolite Li-FER
LI Xue-Li; GUO Juan; WU Qiang; CHENG Yan; LONG Ying-Cai; JIANG Zhi-Yu
Li-ferrierite (Li-FER) fine powder was prepared via an ion exchange process using lithium ions to replace the hydrogen a...
2005, 21 (04): 397 -401
Prediction of Visible Absorption of Pyridone Azo Compounds
LIU Jun-Na; CHEN Zhi-Rong; YUAN Shen-Feng
Based on B3LYP method of DFT, the geometry of pyridone azo compounds was optimized at the level of 6-311G* basis, and an...
2005, 21 (04): 402 -407
Kinetics of BNPP Hydrolysis Catalyzed by the Metallomicelle Based on Crown Schiff Base Complex
ZHANG, Jin1 TANG Ying; XIE Jia-Qing; LI Jian-Zhang; ZENG, Xian-Cheng; HU Chang-Wei
The metallomicelle made from surfactant micelle and new crown Schiff base magnesium(Ⅲ) and cobalt(II) complexes were use...
2005, 21 (04): 408 -413
Electrochemical Performances of Supercapacitor with Polyaniline Particles with Hierarchy as Active Electrode Material
YANG Hong-Sheng; ZHOU Xiao; ZHANG Qing-Wu
Polyaniline (PANi) particles with hierarchy are prepared by adding (NH4)2S2O8 dropwise into aqueous solution containing ...
2005, 21 (04): 414 -418
Effect of pH Value on FeS
Powder Synthesized by Solvothermal Process
CHEN Yan-Hua; ZHENG Yu-Feng; ZHANG Xiao-Gang; SUN Yan-Fei; DONG You-Zhong
Synthesis of the FeS2 (pyrite) powders via a solvent-thermal process is reported. Using FeSO4 and NH2CSNH2 as precursors...
2005, 21 (04): 419 -424
Molecular Dynamics Simulation of Binding Energy of TATB- based PBX
HUANG Yu-Cheng; HU Ying-Jie; XIAO Ji-Jun; YIN Kai-Liang; XIAO He-Ming
The interactions between four fluorine- polymers, i.e. polyvinylidene fluorine (PVDF), polychlorotrifluoroethylene(PCTFE...
2005, 21 (04): 425 -429
Preparation and Properties of Microcapsules for Electrophoretic Display
PEI Guang-Ling; WANG Ting-Jie; YANG Yi; JIN Yong
Microcapsules for electrophoretic display were prepared by in situ polymerization of urea-formaldehyde, in which organic...
2005, 21 (04): 430 -434
Photo-induced Reaction of the Complex Mg
HU Yi-Hua; ZHANG Xing-Chu; WU Hua; WANG Xiao-Juan; CHEN Li; LIU Hai-Chuan; YANG Shi-He
Photodissociation spectroscopy of the complex Mg+-NCSCH3 in the spectral region of 230~440 nm was observed. Mass spectro...
2005, 21 (04): 435 -438
The Critical Behavior of Benzene-Water-Ethanol Ternary Solutions
YANG Tao; ZHOU Cong-Shan; ZHU Xin
The consolute curve of benzene-water-ethanol ternary solutions has been measured by using equal-volume titration, and th...
2005, 21 (04): 439 -442
Preparation of Alumina Template with Different Pore Diameters
HAN Feng-Mei; GUO Yan-Chuan; PENG Bi-Xian; CHEN Li-Juan
Alumina templates with large-size pores ( > 200 nm) were fabricated by adding organic solvent to electrolyte at 15 ℃. Th...
2005, 21 (04): 443 -445
Low-temperature Heat Capacity and Thermodynamic Functions of Nano ZnO
YUE Dan-Ting; TAN Zhi-Cheng; DONG Li-Na; SUN Li-Xian; ZHANG Tao
The size of nano ZnO powders was determined to be 30 nm in diameter by SEM. The isobaric molar heat capacity Cp of the n...
2005, 21 (04): 446 -449
The Aggregation Behaviours and Application of Double-chained Surfactants
XU Gui-Ying; LUAN Yu-Xia; LIU Jun
This paper mainly introduces the basic properties, the types and some applications of double-chained surfactants in nano...
2005, 21 (04): 450 -457
Research Progress on Proton Exchange Membranes for Direct Methanol Fuel Cell
CHEN Yu; TANG Ya-Wen; LIU Chang-Peng; XING Wei; LU Tian-Hong
The proton exchange membrane is one of the key parts in direct methanol fuel cell (DMFC). In this pa-per, the recent pro...
2005, 21 (04): 458 -462