Acta Physico-Chimica Sinica
Acta Physico-Chimica Sinica
2009 Vol. 25,No. 03
Published:02 March 2009
Date of publication: 02 March 2009
Table of Contents
Table of Contents
Table of Contents for Vol.25 No.3
2009, 25 (03): 0-0
Alignment Behavior and Field Emission Properties of Cadmium Sulfide Nanowires Synthesized via a Bismuth Triiodide Sheet-Assisted Solution-Phase Method
LI Hai-Yan; JIAO Jun
Ordered CdS nanostructures were synthesized under controlled conditions via a low-temperature solution-phase procedure. ...
2009, 25 (03): 401-405
Influence of Temperature on the Performance of a Graphite Electrode
ZHUANG Quan-Tiao, WEI Guo-Zhen, DONG Quan-Feng, SUN Shi-Gang
The first lithiation of a graphite electrode in 1 mol·L-1 LiPF6-EC (ethylene carbonate):DEC(diethyl carbonate):DM...
2009, 25 (03): 406-410
Hierarchically Nano-structured In
Hollow Microspheres Synthesized Using Amino Acids as Crystal Growth Modifiers
SHAO Shao-Feng, ZHANG Gui-Jun, ZHOU Hui-Jing, GUAN Nai-Jia, CHEN Tie-Hong
Hierarchically nano-structured In2S3 hollow microspheres were synthesized by a hydrothermal method and the hollowing eff...
2009, 25 (03): 411-416
Homology Modeling of Human Serine Racemase and Its Molecular Docking with Peptide Inhibitors
ZHAO Yong-Shan, ZHENG Qing-Chuan, ZHANG Hong-Xing, CHU Hui-Ying, SUN Chia-Chung
The three dimensional structure of human serine racemase (hSR) was modeled and refined using homology modeling and molec...
2009, 25 (03): 417-422
Photodissociation Dynamics of
-Bromotoluene at 234 and 267 nm
CAO Zhen-Zhou, ZHANG Chang-Hua, WANG Yan-Mei, ZHANG Feng, HUA Lin-Qiang, ZHANG Bing
The photodissociation of o-bromotoluene was studied at 234 and 267 nm using velocity map imaging combined with a resonan...
2009, 25 (03): 423-429
Optimization Theory for Neighbor List Algorithmin Fluid System Simulation
HOU Ji-Xuan, SI Li-Ming
The efficiency of the neighbor list algorithm in molecular dynamics simulation depends on the parameters chosen. By usin...
2009, 25 (03): 430-434
Electronic Effects of Atomic Nitrogen on Carbon on the Ni(111) Surface
LIU Yi-Liang, YANG Bin-Wei, JIANG Gang
Nitrogen is a common impurity found in diamonds. We used three nonequivalent models to study carbon and nitrogen coadsor...
2009, 25 (03): 435-440
Preparation and Electrochemical Performance of Tin-Dioxide Filled Multi-Walled Carbon Nanotubes
MA Ruo-Biao, FU Yan-Bao, MA Xiao-Hua
Multi-walled carbon nanotubes (MWCNTs) were purified and chopped by nitric acid. Tin dioxide filled MWCNTs were prepared...
2009, 25 (03): 441-445
Computational Simulation of Benefiting Qi and Activating Blood Mechanismof Traditional Chinese Medicine
WU Ding-Hong, XU Xiao-Jie
Benefiting Qi and activating blood mechanism of traditional Chinese medicine (TCM) at the molecular level were studied b...
2009, 25 (03): 446-450
Ring-Opening Polymerization of Ethylene Oxide Initiated by Sodium Methoxide
ZHANG Xu, CHU Wei, CHEN Jian-Jun, DAI Xiao-Yan
The ring-opening polymerization process of ethylene oxide as initiated by sodium methoxide was studied using the density...
2009, 25 (03): 451-456
Electrochemical Reaction of Cytochrome c at Selenocystine Self-assembled Monolayers Modified Electrodes
LIANG Min-Si, BAI Yan, LIU Min, ZHENG Wen-Jie
Properties of selenocystine self-assembled monolayers at gold electrode (SeCys SAMs/Au) and hexadecyltrimethylammonium b...
2009, 25 (03): 457-462
Analysis of the Space Charge Capacitance of Bipolar Semiconductor Passive Films
CHEN Chang-Feng, JIANG Rui-Jing, ZHANG Guo-An, ZHENG Shu-Qi
Measurement of the space charge capacitance (Mott-Schottky (M-S) plot) is an important method to study semiconductor pro...
2009, 25 (03): 463-469
Activation Energy of Temperature Programmed Desorption Calculated Using Least-SquaresMethod for Benzene, Thiophene and Octane on NaY
LIU Dao-Shing, HAN Chun-Yu, DUAN Lin-Hai, SONG Li-Juan, SUN Zhao-Lin
Temperature programmed desorption (TPD) spectra of benzene, thiophene, and octane on NaYat different heating rates were ...
2009, 25 (03): 470-476
A Numerical Study on Effects of Turbulent Mixing for Flame Inhibition by Phosphorus-Containing Compounds
JIANG Yong, QIU Rong
The complex chemistry of a methane-air flame doped with phosphorus-containing compounds (PCCs) was determined and it was...
2009, 25 (03): 477-485
Molecular Dynamics Simulation of Methane Hydrate Dissociation Process in the Presence of Thermodynamic Inhibitor
WAN Li-Hua, YA Ke-Feng, LI Xiao-Sen, FAN Shuan-Shi
The dissociation of methane hydrate in the presence of ethylene glycol (11.45 mol·L-1) at 277.0 K was studied usi...
2009, 25 (03): 486-494
Distribution of Copper Ions in a CuLaHY Zeolite and Its Performance in Adsorption Desulfurization
FAN Min-Guang, LI Bin, ZHANG Fei-Yue, LI Wang-Liang, XING Jian-Min, LIU Zi-Li
CuLaHY zeolite absorbents with different Cu loadings were prepared by the equal volume impregnation method under an air ...
2009, 25 (03): 495-501
Solid-State Complexation of Cholic Acid and L-Phenylalanine
LIU Shi-Xiang, FANG Chun-Ying, LANG Zhe-Si, DAI Xing, WANG Xing-Feng, YANG Yun-Xu
Solid-state complexation of cholic acid (CA)/L-phenylalanine (PAA) using a sealed-heating method was investigated. Powde...
2009, 25 (03): 502-506
Molecular Dynamics Simulation of Hydrogen Bonding Characteristics in Aqueous Glycerol Solutions
CHEN Cong, LI Wei-Zhong
To study the structure and physicochemical characteristics of cryoprotective agent (CPA) solutions, glycerol has been ch...
2009, 25 (03): 507-512
Preparation of PPy/CNTs Composite Based on the Electrostatic Absorption Effect
DU Bing, JIANG Qi, ZHAO Xiao-Feng, LIN Sun-Zhong, MU Pei-Shan, ZHAO Yong
We prepared PPy/CNTs (polypyrrole/carbon nanotubes) composites for easy application in industrial production. Sodium dod...
2009, 25 (03): 513-518
Influence of Citric Acid on Structures and Catalytic Activities of Ru/AC Catalysts for Ammonia Synthesis
NI Jun, WANG Rong, LIN Jian-Xin, WEI Ke-Mei
Citric acid (CA) was used to modify graphitic activated carbon (AC) to improve the ruthenium distribution and the cataly...
2009, 25 (03): 519-524
Effect of Molecular Structure of Imidazoline Inhibitors on Growth and Decay Laws of Films Formed on Q235 Steel
ZHANG Jing, DU Min, YU Hui-Hua, WANG Ning
Inhibition performance as well as the growth and decay laws of films formed on Q235 steel in a saturated carbon dioxide ...
2009, 25 (03): 525-531
Chelation Adsorption Behavior of a Salicylic Acid-Type Chelate Resin for Fe(III) Ions
ZHANG Jian, GAO Bao-Jiao, LU Jin-Hua
The nucleophilic substitution reaction of phenyl chloride groups on chloromethylated cross-linked polystyrene (CMCPS) mi...
2009, 25 (03): 532-538
Direct Synthesis and Characteristics of NH
-βZeolite with Hierarchical Pore Structure
CHEN Ran, GONG Yan-Jun, LI Qiang, DOU Tao, ZHAO Zhen, XU Qing-Hu
NH4-βzeolite with hierarchical porous structure was directly prepared in a nearly neutral synthetic systemusing non...
2009, 25 (03): 539-544
Deposited Time Dependence of Luminescence Spectra of Trimeric Phenylenevinylene/Montmorillonite
ZHANG Hai-Quan, ZHANG Song, YANG Xiu-Zhen, ZHANG Cheng-Bo, ZHAI Jing, LI Qing-Shan
The incorporation of trimeric phenylenevinylene (TPV) into the interlayer space of montmorillonite (MMT) was performed b...
2009, 25 (03): 545-548
Behavior of Adsorbed Hydrogen Molecules on Zeolites
DU Xiao-Ming, WU Er-Dong
A general model for hydrogen adsorption was derived using Ono-Kondo lattice theory. The maximum monolayer adsorption cap...
2009, 25 (03): 549-554
Electrochemical Behaviour of the Composite Polymer Electrolyte P(VDF-HFP)-PMMA/CaCO
ZHANG Guo-Qiang, MA Li, WU Zhong-Jie, ZHANG Hai-Yan, NI Pei
Electrochemical behavior of the composite polymer electrolyte (CPE) prepared from polyvinylidene fluoride-co-hexafluorop...
2009, 25 (03): 555-560
Composite Catalysts for Low Temperature CO Oxidation
XIAO Xiao-Yan, LU Ji-Qing, SU Xiao-Wen, GUO Ming, LUO Meng-Fei
A series of PdO-CeO2 composite catalysts were prepared using a co-precipitation method and tested for low temperature CO...
2009, 25 (03): 561-566
Total Energy Calculations on the Geometry Structure of Pt/Cu(001)-
ZHAO Xin-Xin, TAO Xiang-Ming, MI Yi-Ming, TAN Ming-Qiu
Density functional theory was used to determine the geometric structure and adsorption properties of Pt/Cu(001)-p(2&time...
2009, 25 (03): 567-574
Preparation and Properties of Sulfonated Poly(ether sulfone)/Boron Phosphate Composite Proton Exchange Membranes
ZHENG Gen-Wen, GONG Chun-Li, WEN Sheng, ZHOU Huan-Bo, XIE Xiao-Lin
Sulfonated poly(ether sulfone) (SPES)/boron phosphate (BPO4) composite membranes for application in high temperature pro...
2009, 25 (03): 575-582
Molecular Simulation of Solute Hydration Structure in Nanoscale Confinement
SHAO Qing; LV Ling-Hong; LU Xiao-Hua; WEI Ming-Jie; ZHU Yu-Dan; SHEN Wen-Feng
A series of molecular dynamics simulations were performed to investigate the effect of carbon nanotube diameter on the h...
2009, 25 (03): 583-589
Conceptual Density Functional Theory and Some Recent Developments
Conceptual density functional theory (DFT), also called Density Functional Reactivity Theory or Chemical DFT, is the che...
2009, 25 (03): 590-600