Acta Physico-Chimica Sinca
Acta Physico-Chimica Sinca
2006 Vol. 22,No. 07
Published:27 June 2006
Date of publication: 27 June 2006
Molecular Dynamics Simulation of the Structure Transformation before and after Ni Melting
HOU Huai-Yu;CHEN Guo-Liang;CHEN Guang
A series of molecular dynamics simulations for the structure transformation during heating and melting of FCC Ni have been perform...
2006, 22 (07): 771-776
Recognition of Cell Surface Proteins by High-density Phage Antibody Chip
CEN Xiao-Dong;WANG Wen-Juan;ZHAO Xin-Sheng;WANG Xuan;SHEN Ti;TAN Tao-Chao;BI Qun;ZHU Sheng-Geng
A large human phage antibody library was subjected for panning with leukocytes from healthy donors and leukemia patients to select...
2006, 22 (07): 777-779
Study on the Characteristics of the Ground States and Excited States of He
ZHANG Yun-Guang;GAO Tao;LI Gui-Xia;ZHANG Chuan-Yu;CHEN Dong;ZHU Zheng-He
The molecule structures for the ground and low-lying states of He2+ and He2++ are calculated using the SAC/SAC-CI with the basis s...
2006, 22 (07): 780-785
Two-step Consecutive Reaction Model of Biomass Thermal Decomposition by DSC
CHEN Hai-Xiang;LIU Nai-An;FAN Wei-Cheng
The thermal decomposition of one kind of biomass in air has been investigated by differential scanning calorimetry (DSC) analyzer....
2006, 22 (07): 786-790
Influences of Titania Concentration on the Structure and the Three-order Nonlinear Optical Properties of Core-shell Ag/TiO
YANG Ying;GONG Chu-Qing;XIAO Si;GONG Hong-Mei;WANG Qu-Quan;ZHONG Jia-Cheng
Core-shell Ag/TiO2 nanocomposites with different TiO2 concentration were synthesized by the photoreduction method, in the presence...
2006, 22 (07): 791-796
Density Functional Studies on Formamide′s Water-influenced Proton Transfer in Solution
LIANG Wan-Chun;LI Hao-Ran;HU Xing-Bang;HAN Shi-Jun
The interconversion process between keto and enol forms of formamide (FM→FA) can be regarded as a model for tautomerization of lar...
2006, 22 (07): 797-803
Preparation of Nanometer Magnesia with High Surface Area and Study on the Influencing Factors of the Preparation Process
GUAN Hong-Bo;WANG Pei;WANG Hui;ZHAO Bi-Ying;ZHU Yue-Xiang;XIE You-Chang
Three kinds of MgC2O4•2H2O were prepared by precipitation method with different raw materials, and MgO with high surface area...
2006, 22 (07): 804-808
FT-IR Study on the Direct Gas Phase Epoxidation of Propylene over Ag-MoO
JIN Guo-Jie;GUO Yang-Long;LIU Xiao-Hui;YAO Wei;GUO Yun;WANG Yun-Song;YUAN Fang;LU Guan-Zhong
The Ag-MoO3 catalyst for direct gas phase epoxidation of propylene was prepared, and in situ FT-IR technology was used to study th...
2006, 22 (07): 809-814
Oxidation-Storage and Tolerance of SO
Poison of Mn/Ba/Al
XIAO Jian-Hua;LI Xue-Hui;DENG Sha;XU Jian-Chang;WANG Le-Fu
The performance of NOx oxidation-storage and desorption over Mn/Ba/Al2O3 catalyst were investigated at different temperatures. The...
2006, 22 (07): 815-819
Density Functional Theory Studies on Ethanol Physisorption on Ultrafine Silica
ZHANG Zhi-Qiang;QU Yi-Xin;REN Hui
The surface geometries of ultrafine silica and its adsorption property for ethanol had been studied by density functional theory u...
2006, 22 (07): 820-825
Influence of Thermal Initiators on the Electrochemical Performances of Gel Polymer Electrolytes
TANG Ding-Guo;CI Yun-Xiang;QI Lu
Two thermal polymerization initiators, 2,2′-azobisisobutyronitrile(AIBN) and benzoyl peroxide(BPO), commonly used to prepare gel p...
2006, 22 (07): 826-830
Preparation of Macroporous Al
by Template Method
WANG Xiao-Dong;DONG Peng;CHEN Sheng-Li
Macroporous material of Al2O3 was prepared through mixing a Al2O3 sol with polystyrene (PS) particles as templates, drying the sus...
2006, 22 (07): 831-835
DFT Study on Second-order Nonlinear Optical Properties of a Series of Three-dimensional Cobalt(II) Metal Complexes
QIU Yong-Qing;LIU Chun-Guang;CHEN Hui;SU Zhong-Min;YANG Guo-Chun;WANG Rong-Shun
To design three-dimensional cobalt(II) metal complexes and Schiff base ligands, the geometry was taken from the starting structure...
2006, 22 (07): 836-839
One-step Solid-state Synthesis and Electrochemical Performance of Nb-doped LiFePO
ZHUANG Da-Gao;ZHAO Xin-Bing;XIE Jian;TU Jian;ZHU Tie-Jun;CAO Gao-Shao
Nb-doped LiFePO4/C was synthesized using one-step solid-state method. The effect of Nb contents on the electrochemical performance...
2006, 22 (07): 840-844
Phase Separation in Nonaqueous Mixed Solvents Induced by Quaternary Ammonium Surfactants
LIU Jin-Yan;ZHAO Jian-Xi;CHEN Zhe
When a quaternary ammonium surfactant has a suitable solubility in a polar solvent, it can induce the phase self-separation of mut...
2006, 22 (07): 845-850
Study of Ni Composite Anodes for Dimethyl Ether Fuel Cell
GAO Jie;WANG Shi-Zhong
Series of Ni-Fe-La0.8Sr0.2Ga0.8Mg0.115Co0.085O3 (LSGMC8.5) composite anodes were prepared and characterized for solid oxide fuel c...
2006, 22 (07): 851-855
Study on Crystal Structure of [Ni(phen)
CHEN Hu;XU Xing-You;GAO Jian;YANG Xu-Jie;LU Lu-De;WANG Xin
A new complex [Ni(phen)3](ClO4)2 was synthesized by transition metal Ni2+ with phen(1,10-phenanthroline). The crystal structure of...
2006, 22 (07): 856-859
Effect of Na-doping on CO
Absorption of Li
WANG Yin-Jie;QI Lu;DAI Ke-Hua
Sodium-doped lithium silicate as CO2 absorbent at 500 ℃ to 750 ℃ was prepared by high-temperature solid-state reaction. The influe...
2006, 22 (07): 860-863
Theoretical Study on Dissociation of Two Alkyl Iodides and Measurement of Emission Spectra
CHENG Li;SHEN Zuo-Chun;LU Jian-Ye;GAO Hui-De;LU, Zhi-Wei
The potential energy curves of two alkyl iodides, C2H2F3I and n-C3H4F3I, are calculated with B3LYP method and dissociation energie...
2006, 22 (07): 864-867
Electrochemistry of Immobilized Horseradish Peroxidase in Organic Solvents/Water Mixture
LIU Hui-Hong;WAN Yong-Qing;CHEN Xian-Tang;ZOU Guo-Lin
Horseradish peroxidase (HRP) was immobilized on glassy carbon electrode (GCE) surface by konjac glucomannan (KGM). HRP entrapped i...
2006, 22 (07): 868-872
Study on the Evolvement of Structure in Synthesis of Urea-Formaldehyde Resins by FTIR
LI Ai-Ping;KAN Cheng-You;DU Yi;LIU De-Shan
By means of Fourier transform infrared(FTIR) spectroscopy, the structure development of urea-formaldehyde (UF) resins in synthesis...
2006, 22 (07): 873-877
Structure Characteristic of Amorphous BCN System by Molecular Dynamics Simulation
YE Ya-Jing;ZHANG Li-Tong;CHENG Lai-Fei;XU Yong-Dong
Molecular dynamics simulations on amorphous BCN system were carried out in order to investigate the structure character of short-r...
2006, 22 (07): 878-882
Novel Gas Diffusion Electrode System for Effective Production of Hydrogen Peroxide
YU Qing-Hong;ZHOU Ming-Hua;LEI Le-Cheng
Hydrogen peroxide production via cathodic reduction of oxygen on self-made gas diffusion electrode was studied in an undivided sys...
2006, 22 (07): 883-887
Critical Crossover Phenomena in Ternary Solutions of Water+3-methylpyridine+Sodium Bromide
GAO Xue-Yi;AN Xue-Qin;WANG Nong;MA Xing-Ke;SHEN Wei-Guo
The critical phenomena of water + 3-methylpyridine + sodium bromide system, with the mass fractions of sodium bromide, 3-methylpyr...
2006, 22 (07): 888-890
Avoidance of Undesirable By-product of Tar Formed in Hydroxylation of Phenol and Benzene with H2O2 by Introduction of Competitive Reaction
MENG Xiang-Ju;JIANG Da-Zhen;XIAO Feng-Shou
It is shown here that, by introduction of competitive reaction, the formation of tar in hydroxylation of aromatics can be complete...
2006, 22 (07): 891-894
High Temperature Performance of Ni-MH Positive Electrode Added with Na
TANG Zhi-Yuan;ZHANG Xiao-Yang;LIU Yuan-Gang;LIU Yong
Different contents of Na2WO4 reagents were added to nickel positive electrode to enhance its high temperature performance. The res...
2006, 22 (07): 895-898
Recent Progresses in the Combinatorial Materials Science
GAO Chen;BAO Jun;LUO Zhen-Lin;LIU Wen-Han
Recent progresses in the combinatorial materials science were reviewed. Firstly, the basic concept and history of combinatorial ma...
2006, 22 (07): 899-912