2005 Volume 21 Issue 11

Studies on the Quenching of SO (c1Σ,v=0)
WANG Hong-mei , TANG Xiao-shuan , CHU Yan-nan , ZHOU Shi-kang
2005, 21(11): 1195-1197  doi: 10.3866/PKU.WHXB20051101
[Abstract](3563) [FullText HTML] [PDF 189KB](2559)
Abstract:
On a flowing afterglow apparatus, the quenching of SO(c1Σ) by SO2, O2, CO2, N2, He, CS2, CH3OH, C2H5OH, C3H7OH, C4H9OH, CH3COCH3, C6H6, CH2Cl2, CH2Br2, CHCl3, or CCl4 was studied firstly and successfully. The quenching rate constants of SO(c1Σ) by ...
Molecular Dynamics Simulation of Interaction between Calcite Crystal and Water-soluble Polymers
ZHANG Shu-guang , SHI Wen-yan , LEI Wu , XIA Ming-zhu , WANG Feng-yun
2005, 21(11): 1198-1204  doi: 10.3866/PKU.WHXB20051102
[Abstract](4369) [FullText HTML] [PDF 718KB](3108)
Abstract:
The interactions between three kinds of water-soluble polymers, i.e. polyacrylic acid (PAA), polymethylacrylic acid (PMAA), and acrylic acid-methyl acrylate copolymer (AA-MA), and calcite crystal have been simulated by molecular dynamics (MD). The re...
Study on Interfacial Interaction between Hydrophobically Modified Polyacrylamide and Surfactants
WANG Dong-xian , LUO Lan , ZHANG Lu , WANG Yi-yang , ZHAO Sui , YU Jia-yong
2005, 21(11): 1205-1210  doi: 10.3866/PKU.WHXB20051103
[Abstract](3472) [FullText HTML] [PDF 242KB](2662)
Abstract:
The interfacial dilational viscoelastic properties of hydrophobically associating block copolymer composed of acrylamide (AM) and a low amount of 2-ethylhexyl acrylate (EHA) (< 1.0% mole fraction) with a hydrolysis degree of about 1.5%~2.0% at the oc...
A Model of Stoichiometric Displacement for the Adsorption of Benzoic Acid and Benzene by Silica Gel from Cyclohexane Solution
CHEN Yu-yin , LIU Fan , LIU Yong-chun
2005, 21(11): 1211-1216  doi: 10.3866/PKU.WHXB20051104
[Abstract](4941) [FullText HTML] [PDF 245KB](2565)
Abstract:
Adsorption of benzoic acid and benzene from cyclohexane solution by silica gel was studied under 293~313 K. It was indicated that adsorption of benzoic acid by silica gel well fit the stoichiometric displacement mode for adsorption (SDM-A). But for b...
The Influences of the Spacer of Gemini Surfactants on the Structure of Silicic Mesoporous Materials
HU Jun , ZHOU Li-hui , LI Hong-ning , LI Wan-xin , LIU Hong-lai , HU Ying
2005, 21(11): 1217-1222  doi: 10.3866/PKU.WHXB20051105
[Abstract](4766) [FullText HTML] [PDF 1773KB](2923)
Abstract:
Gemini surfactants, with two quaternary ammonium head groups separated by a spacer with variable configurations and with each head group attached to a same or different hydrophobic tail, can be used to control the packing parameter and the organic po...
UBI-QEP Analysis for the Mechanism of Fischer-Tropsch Synthesis
CHANG Jie , TENG Bo-tao , XIANG Hong-wei , LI Yong-wang , SUN Yu-han
2005, 21(11): 1223-1228  doi: 10.3866/PKU.WHXB20051106
[Abstract](4081) [FullText HTML] [PDF 213KB](2528)
Abstract:
The unity bond index-quadratic exponential potential (UBI-QEP) model is used to evaluate the heat of chemisorption of adsorbed species and activation barriers for the elementary reactions in the mechanisms for Fischer-Tropsch synthesis (FTS) reaction...
Study on Interaction between HIV-1 Integrase and Its Dicaffeoyl Inhibitors through Molecular Modeling Approach
LIU Chun-li , LI Chun-hua , CHEN Wei-zu , WANG Cun-xin
2005, 21(11): 1229-1234  doi: 10.3866/PKU.WHXB20051107
[Abstract](3718) [FullText HTML] [PDF 343KB](3006)
Abstract:
The binding mode of a series of dicaffeoyl or digalloyl pyrrolidine and furan derivatives inhibitors with HIV-1 integrase was proposed by using molecular docking and molecular dynamics (MD) simulation methods. The results indicate that the interactio...
Diffusion Coefficients and Rate Constants of NiCl2(bpy)3 in DMF Determined by Chronocoulometry
ZHAO Peng , FANG Hui-jue , XUE Teng , QI Xi-min , LU Jia-xing
2005, 21(11): 1235-1239  doi: 10.3866/PKU.WHXB20051108
[Abstract](3806) [FullText HTML] [PDF 221KB](2773)
Abstract:
The electrochemical characteristic of NiCl2(bpy)3 at glassy carbon electrode in DMF has been investigated by using cyclic voltammetry. Chronocoulometry was employed to determine the diffusion coefficients and the rate constants (kf and k0). The CV re...
Surfactivity and Micellization of Disodium Hexadecyl Diphenyl Ether Disulfonate in Aqueous Solution
XU Hujun , , LIANG Jin-long
2005, 21(11): 1240-1243  doi: 10.3866/PKU.WHXB20051109
[Abstract](3478) [FullText HTML] [PDF 189KB](2734)
Abstract:
By using drop-volume method, the surface tension of disodium hexadecyl diphenyl ether disulfonate (C16-MADS) was measured in different NaCl concentrations (0~0.50 mol•L-1 NaCl) at different temperatures (298.0~318.0 K). The results show that with the...
Microstructure Transformation of Multi-walled Carbon Nanotubes during Diamine Grafting Process
LI Juan , FANG Zheng-ping , WANG Jian-guo , GU Aijuan , TONG Li-fang , LIU Fu
2005, 21(11): 1244-1248  doi: 10.3866/PKU.WHXB20051110
[Abstract](4127) [FullText HTML] [PDF 1211KB](3154)
Abstract:
1,6-hexamethylene diamine (HMD) was grafted onto multi-walled carbon nanotubes (MWNTs) via acid-thionyl chloride route. The characterization of MWNTs was carried out by Fourier transform infrared spectrum, thermal gravimetric analysis, field emission...
Phase Equilibrium of the NdCl3-CdCl2-HCl-H2O System at 298.15 K and Characterization of New Compounds
QIAO Zhan-ping , ZHUO Li-hong , GUO Ying-chen , WANG Hui
2005, 21(11): 1249-1253  doi: 10.3866/PKU.WHXB20051111
[Abstract](3655) [FullText HTML] [PDF 209KB](2576)
Abstract:
The equilibrium solubility of the quaternary system NdCl3-CdCl2-HCl-H2O was determined at 298.15 K and the corresponding equilibrium diagram was constructed. The result shows that the quaternary system was complicated with four equilibrium solid phas...
Preparation and Formation Mechanism of Alumina Nanowires
ZHANG Lu , YAO Su-wei , ZHANG Wei-guo , WANG Hong-zhi
2005, 21(11): 1254-1258  doi: 10.3866/PKU.WHXB20051112
[Abstract](3798) [FullText HTML] [PDF 2588KB](4029)
Abstract:
The highly ordered anodic aluminum oxide (AAO) film, was prepared with electrochemical anodization method. The as-synthesized AAO film was amorphous as seen from XRD result. Amorphous alumina nanowires were successfully and easily obtained with high ...
Studies on Three-dimensional QSAR of Muscarinic Receptor A nists
ZHU Jun , NIU Yan , , LEI Xiao-ping
2005, 21(11): 1259-1263  doi: 10.3866/PKU.WHXB20051113
[Abstract](2838) [FullText HTML] [PDF 331KB](2460)
Abstract:
Three dimensional structure-activity relationship of 55 muscarinic receptor a nists were studied using comparative molecular field analysis (CoMFA) technique. The relationship between the activities and structures was significant with cross-validated...
Preparation and Performances of a Novel Gel Polymer Electrolyte
TANG Ding-guo , LIU Jian-hong , CI Yun-xiang , QI Lu
2005, 21(11): 1263-1268  doi: 10.3866/PKU.WHXB20051114
[Abstract](3636) [FullText HTML] [PDF 1695KB](2790)
Abstract:
A novel gel polymer electrolyte (GPE) based on noepentyl glycol diacrylate (NPGDA) and poly(vinyli-dene fluofide-co-hexafluoropropylenen) (PVDF-HFP) was prepared by a thermal polymerization method. GPE with a stable interpenetrating polymer network (...
An Investigation on Space-charge Effect in the Time-of-flight Mass Spectrometry
SHI Yong , ZHOU Xiao-guo , ZHAO Ying-guo , LIU Shi-lin , MA Xing-xiao
2005, 21(11): 1269-1273  doi: 10.3866/PKU.WHXB20051115
[Abstract](1943) [FullText HTML] [PDF 234KB](2111)
Abstract:
In the multi-photon ionization experiment, the parent ion peak of time-of-flight (TOF) was observed to become broader with increasing laser power. Briefly, this phenomenon is caused by the space-charge effect of ions. A qualitative theoretical model,...
Effect of Halides on Photo-induced Hydrophilicity over TiO2 Films
DAI Wen-xin , WANG Xu-xu , FU Xian-zhi , LIU Ping , LIN Hua-xiang
2005, 21(11): 1274-1279  doi: 10.3866/PKU.WHXB20051116
[Abstract](3761) [FullText HTML] [PDF 282KB](2846)
Abstract:
A series of TiO2-X films doped with different halides X(I, Br, Cl, and F) coated on the slide was prepared by dip-coating in the TiO2 sol into which potassium halide (including KI, KBr, KCl and KF) was introduced. The photo-induced hydrophilici...
The Adsorption and Oxidation of Isopropanol at Platinum Electrode in Alkaline Media
LIN Heng , CHEN Guo-liang , ZHENG Zi-shan , ZHOU Jian-zhang , CHEN Sheng-pei , LIN Zhong-hua
2005, 21(11): 1280-1284  doi: 10.3866/PKU.WHXB20051117
[Abstract](3356) [FullText HTML] [PDF 144KB](2650)
Abstract:
The adsorption and oxidation of isopropanol in alkaline media at platinum electrode have been investigated by using electrochemical quartz crystal microbalance (EQCM) and in situ FTIR spectroscopy. The results show that there is no self-poisoning in ...
Structure and Electrochemical Performance of LiNiyCo0.1-yMn1.9O4 Cathode Materials Prepared by a Precipitation Method
WANG Guo-guang WANG Jian-ming MAO Wen-qu LIU Li-qing ZHANG Jian-qing CAO Chu-nan ,
2005, 21(11): 1285-1290  doi: 10.3866/PKU.WHXB20051118
[Abstract](3778) [FullText HTML] [PDF 774KB](2601)
Abstract:
Spinel LiMn2O4 and LiNiyCo0.1-yMn1.9O4 (y=0, 0.05, 0.10) samples were prepared by a precipitation method. The structure, morphology, and electrochemical performance of the samples were characterized by Fourier transform infrared (FT-IR) spectroscopy,...
Methane Coupling in Atmospheric Pressure Glow Discharge Plasma with a Rotary Helix Electrode
WANG Da-wang , MA Teng-cai , CUI Jin-hua
2005, 21(11): 1291-1294  doi: 10.3866/PKU.WHXB20051119
[Abstract](3316) [FullText HTML] [PDF 295KB](2414)
Abstract:
Methane coupling to produce C2 hydrocarbons was studied with a newly developed rotary helix electrode in glow discharge plasma at atmospheric pressure. Effects of peak electric voltage and feed flow rates of methane and hydrogen on CH4 conversion, C2...
Correlation of 1H NMR Chemical Shift for Alcohol + Inert Solvent Mixtures by LFHB Model
LAN Rong , LI Hao-ran , HAN Shi-jun
2005, 21(11): 1295-1298  doi: 10.3866/PKU.WHXB20051120
[Abstract](3946) [FullText HTML] [PDF 169KB](2658)
Abstract:
The lattice-fluid hydrogen bond equation of state model(LFHB model) is used to correlate 1H NMR chemical shift of the proton in hydroxyl(—OH) of alcohol + inert solvent mixtures. The 29 sets of data for 17 systems are correlated using only one parame...
Corrosion Resistance of Electroless Ni-P Deposits and Its Relation to P Contents
HU Guang-hui , WU Hui-huang , YANG Fang-zu
2005, 21(11): 1299-1302  doi: 10.3866/PKU.WHXB20051121
[Abstract](3168) [FullText HTML] [PDF 219KB](2540)
Abstract:
By measuring polarization curves and alternating-current impedances, the corrosion resistance of electroless Ni-P deposits with P contents from 16.2% to 23.4%(x) was investigated in 5% (w) NaCl solution. It was found that there was a maximum of polar...
ECSTM Tip-induced Nanostructuring of Ordered Pd Clusters Array
TANG Jing , PETRI Marc , KIBLER Ludwig A. , KOLB Dieter M.
2005, 21(11): 1303-1306  doi: 10.3866/PKU.WHXB20051122
[Abstract](3443) [FullText HTML] [PDF 719KB](2499)
Abstract:
Electrochemical scanning tunnelling microscope (ECSTM) was used to induce local electrodeposition under mild electrochemical and tunnelling bias conditions. The Pd nanocluster arrays were fabricated on Au(111) in PdCl2 and PdSO4 solutions respectivel...
Studies on Glass Transition Temperature ofNl Chitosan
DONG Yan-ming , RUAN Yong-hong , ZHAO Ya-qing , BI Dan-xia , YANG Liu-lin , GE Qiang
2005, 21(11): 1307-1310  doi: 10.3866/PKU.WHXB20051123
[Abstract](3843) [FullText HTML] [PDF 262KB](2840)
Abstract:
The glass transition behaviors of N-alkyl chitosan were investigated by means of differential scanning calorimetry (DSC) and thermally stimulated current (TSC) spectroscopy. In DSC measurements, the second heating run was used to eliminate the effect...
Synthesis, Characterization and Catalytic Activity of Mesoporous Cr-MSU-1
LIU Li-cheng , LI Hui-quan , CAI Wei-quan , ZHANG Yi
2005, 21(11): 1311-1314  doi: 10.3866/PKU.WHXB20051124
[Abstract](3760) [FullText HTML] [PDF 534KB](2686)
Abstract:
Mesoporous Cr-MSU-1 was successfully prepared by using sodium silicate, chromium nitrate, fatty alcohol polyoxyethylene ether (A(EO)9) as the source of silicone, metal and mesostructure-directing agent, respectively. Cr-MSU-1 and MSU-1 were comparati...
Volumetric Properties of L-Serine in n-propanol-Water Mixed Solvents at 298.15 K
XU Li , WANG Xu , LIN Rui-sen
2005, 21(11): 1315-1318  doi: 10.3866/PKU.WHXB20051125
[Abstract](3390) [FullText HTML] [PDF 177KB](2509)
Abstract:
Densities of L-serine-n-propanol-water ternary solutions have been measured at 298.15 K by an oscillating-tube densimeter. Apparent molar volumes, limiting partial molar volumes, transfer partial molar volumes and hydration numbers for L-serine have ...
Second Order Optical Nonlinearity in Substituted Benzene Systems: a Dynamical Lie Algebraic Treatment
WU Ai-ling , ZHAO Xian , GUAN Da-ren , YI Xi-zhang
2005, 21(11): 1319-1323  doi: 10.3866/PKU.WHXB20051126
[Abstract](4195) [FullText HTML] [PDF 211KB](2502)
Abstract:
The dynamical Lie algebraic (DLA) formulation is used to describe the nonlinear optical process for the model system of substituted benzenes in a Pariser-Parr-Pople(PPP) Hamiltonian. It is shown how to generate the dynamical Lie algebra for the given...
Progress in the Temperature-controlled Transition of Self Assemblies in Surfactant Solutions
YIN Hai-qing , HUANG Jian-bin
2005, 21(11): 1324-1330  doi: 10.3866/PKU.WHXB20051127
[Abstract](3363) [FullText HTML] [PDF 884KB](2329)
Abstract:
Recent progress in temperature-controlled transition of self assemblies in surfactant solutions was summarized. Special attention was paid on the phase transition of vesicles, temperature-induced micelle/vesicle transition, cloud point phenomenon in ...
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