Acta Phys. -Chim. Sin.

Table of Contents

Cover and Table of Contents for Vol.26 No. 06
Acta Phys. -Chim. Sin. 2010, 26 (06), 0.

THERMODYNAMICS,THERMOCHEMISTRY AND SOLUTION CHEMISTRY

Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids
LIU Qing-Shan, YANG Miao, TAN Zhi-Cheng, WELZ-BIERMANN Urs
The physicochemical properties of ionic liquids (ILs) at 298.15 K could be estimated and predicted in terms of empirical...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1463-1467. DOI: 10.3866/PKU.WHXB20100534

Thermal Stability, Equilibrium Vapor Pressure and Standard Enthalpy of Vaporization of 1-Butyl-3-methylimidazolium Tetrafluoroborate
LIANG Rui, YANG Mei-Rong, ZHOU Qing-Xiang
The thermal stability, equilibrium vapor pressure, and standard enthalpy of vaporization of 1-butyl-3-methylimidazolium ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1468-1472. DOI: 10.3866/PKU.WHXB20100637

Decomposition Characteristics of Ethane Hydrate and Propane Hydrate by Microwave Heating
HE Song, LIANG De-Qing, LI Dong-Liang, MA Long-Long
The decomposition of type I ethane hydrate and type II propane hydrate stimulated by 2.45 GHz microwave (MW) were experi...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1473-1480. DOI: 10.3866/PKU.WHXB20100627

CHEMICAL KINETICS AND MOLECULE DYNAMICS

Effects of CO Addition on the Lean Premixed CH₄/Air Flame
CHEN Wen-Ting, JIANG Yong, QIU Rong
A numerical study was carried out to determine the effects of CO addition on the laminar burning velocity, NOx emission,...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1481-1487. DOI: 10.3866/PKU.WHXB20100621

ELECTROCHEMISTRY

Electrodeposition Preparation of a Pt-Ru Alloy Filmand Its Electrochemical Surface-Enhanced IR Absorption Spectroscopy
LI Qiao-Xia, ZHOU Xiao-Jin, LI Jin-Guang, XU Qun-Jie
An electrodeposition approach was developed for the formation of Pt50Ru50 alloy electrodes on a Au-coated Si prismas the...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1488-1492. DOI: 10.3866/PKU.WHXB20100541

In situ ESR Study of Hydroxyl Radical Generation on a Boron Doped Diamond Film Electrode Surface
GENG Rong, ZHAO Guo-Hua, LIU Mei-Chuan, LEI Yan-Zhu
An in situ electrochemistry-electron spin resonance (ESR) method was established to study the generation reaction and th...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1493-1498. DOI: 10.3866/PKU.WHXB20100602

Influence of Electrolyte Composition on the Intercalation-Deintercalation Process of Lithium Ion in Spinel LiMn₂O₄
QIU Xiang-Yun, ZHUANG Quan-Chao, WANG Hong-Ming, CUI Yong-Li, FANG Liang, SUN Shi-Gang
Variations in the impedance spectra of the commercially available spinel LiMn2O4 electrode from -20 to 20 ℃ were investi...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1499-1506. DOI: 10.3866/PKU.WHXB20100608

Characterization of LiNi_1/3Mn_1/3Co_1/3O₂ Synthesized by Wet-Chemical Method
ZHANG Xiao-Yu, JIANG Wei-Jun, ZHU Xiao-Pei, QI Lu
A series of cathode materials LiNi1/3Mn1/3Co1/3O2 for lithium-ion batteries were successfully synthesized using succinic...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1507-1514. DOI: 10.3866/PKU.WHXB20100638

Novel Polypyrrole/Mesoporous Carbon Nanocomposite Electrode for an Electrochemical Hybrid Capacitor
ZHANG Jing, KONG Ling-Bin, CAI Jian-Jun, YANG Zhen-Sheng, LUO Yong-Chun, KANG Long
With mesoporous carbon (CMK-3) serving as a support, we prepared a novel nanocomposite of polypyrrole/mesoporous carbon ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1515-1520. DOI: 10.3866/PKU.WHXB20100603

Polyaniline-Based Carbon for a Supercapacitor Electrode
LI Li-Min, LIU En-Hui, LI Jian, YANG Yan-Jing, SHEN Hai-Jie, HUANG Zheng-Zheng, XIANG Xiao-Xia
Novel carbonmaterials containing heteroatoms (nitrogen and oxygen)were prepared by carbonizingH2SO4-doped polyaniline at...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1521-1526. DOI: 10.3866/PKU.WHXB20100626

Corrosion Behavior of Steel A3 Influenced by Bacillus
DU Juan, LI Song-Mei, LIU Jian-Hua, YU Mei
Surface analysis, mass loss and electrochemical mesurements were used to investigate the corrosion behavior of steel A3 ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1527-1534. DOI: 10.3866/PKU.WHXB20100605

STRUCTURE CHEMISTRY

Synthesis, Crystal Structure and Fluorescence Spectrum of a Ytterbium(III) Complex with 3,4-Dimethoxyphenylacetic Acid and 1,10-Phenanthroline
YU Yu-Ye, LIU Jian-Feng, LI Hua-Qiong, ZHAO Guo-Liang
A ytterbium(III) complex (C84H82Yb2N4O24) [Yb2(DMPA)6(phen)2] (phen=1,10-phenanthroline; HDMPA=3,4-dimethoxyphenylacetic...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1535-1540. DOI: 10.3866/PKU.WHXB20100622

Energy Minimization Modeling of Fluorine Substitution for Interlayer Hydroxyl in Kaolinite
NIU Ji-Nan, QIANG Ying-Huai, WANG Zhi-Hui
We investigated the causes of distortions and the influence of hydrogen bonding on these distortions in kaolinite. We us...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1541-1551. DOI: 10.3866/PKU.WHXB20100515

COLLOID AND INTERFACE CHEMISTRY

Studies on the Conductivity ofMixed Reverse Micelles of Anionic and Non-Ionic Surfactants
LIU Jin-Yan, HAN Wai-Hui, ZHANG Yan, YAO Chao-Huai
In the SDS/Tween60/hexanol/cyclohexane/water system, a conductivity maximum was observed in the conductivity (κ) a...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1552-1556. DOI: 10.3866/PKU.WHXB20100536

Spherical Assemblies of Cyclo[6]aramide with Polar Side Chains
YANG Yong-An, YUAN Li-Hua, HU Jin-Chuan, ZOU Shu-Liang, FENG Wen, GONG Bing
Cyclic aromatic oligoamides are a new class of recently discovered shape-persistent macrocycles. These molecules are pre...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1557-1564. DOI: 10.3866/PKU.WHXB20100604

Synergistic Interactions in Mixed Micelles of Cationic 14-s-14 Gemini with Conventional Surfactants: Spacer and Counterion Effects
AZUM Naved, NAQVI Andleeb Z., AKRAM Mohd., KABIR-UD-DIN
The mixed micelle formation of binary cationic 14-s-14 gemini with conventional single chain surfactants was studied by ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1565-1569. DOI: 10.3866/PKU.WHXB20100610

CATALYSIS AND SURFACE STRUCTURE

High Activity of Pd/Graphene Catalysts for Ethanol Electrocatalytic Oxidation
WEN Zhu-Liang, YANG Su-Dong, SONG Qi-Jun, HAO Liang, ZHANG Xiao-Gang
Graphite oxide (GO) was prepared from graphite powder by Hummers'liquid oxidation method. The graphene nanosheets suppor...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1570-1574. DOI: 10.3866/PKU.WHXB20100620

Effect of Ni Content in Co_1-xNi_xB Catalysts on Hydrogen Generation during Hydrolysis
LI Li, WANG Yi-Jing, WANG Ya-Ping, REN Qiu-Li, JIAO Li-Fang, YUAN Hua-Tang
A series of Co1-xNixB alloy catalysts were synthesized in ethanol by chemical reduction in an ice-water bath. The cataly...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1575-1578. DOI: 10.3866/PKU.WHXB20100609

Gas Phase Epoxidation of Propylene over a Modified Ag/α-Al₂O₃ Catalyst
YAO Wei, GUO Yang-Long, LU Guan-Zhong, GUO Yun, WANG Yan-Qin, ZHANG Zhi-Gang, HE Dan-Nong
Modified Ag/α-Al2O3 catalysts were prepared for the gas phase epoxidation of propylene by molecular oxygen. We use...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1579-1584. DOI: 10.3866/PKU.WHXB20100531

Direct Gas-Phase Epoxidation of Propylene over Au/Ti-MCM-41(H) Catalysts
LIU Yi-Wu, YU Huan, ZHANG Xiao-Ming, SUO Ji-Shuan
Microporous-mesoporous hybrid Ti-MCM-41(H) was successfully synthesized by the nano-cluster assembling method. Gold nano...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1585-1592. DOI: 10.3866/PKU.WHXB20100606

Adsorption of Lysozymes on Fe/CMK-5 Composites Synthesized by Chemical Vapor Deposition
CAO Yin-Di, DANG Li-Qin, BAI Dan, LEI Zhi-Bin, LIU Mei-Ying
Fe/CMK-5 composites were synthesized by chemical vapor deposition (CVD) using ferrocene as carbon precursor and SBA-15 a...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1593-1598. DOI: 10.3866/PKU.WHXB20100614

Comparison of Three Reaction Mechanisms for the Water Gas Shift Reaction on Au(111) Surface
LIU Xiao-Ming, NI Zhe-Ming, YAO Ping, XU Qian, MAO Jiang-Hong, WANG Qiao-Qiao
A detailed density functional theory (DFT) investigation revealed three possible mechanisms (redox mechanism, carboxyl m...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1599-1606. DOI: 10.3866/PKU.WHXB20100625

PHOTOCHEMISTRY AND SPECTROSCOPY

Effect of Silver Nanoparticles on the Spectroscopy Properties of [Ru(bpy)₃]²⁺ and Electrolyte Effect
WANG Yue-Hui, WANG Ting, ZHOU Ji
The effects of silver nanoparticles on the fluorescence properties of a [Ru(bpy)3]2+ complex bound to the surface of sil...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1607-1616. DOI: 10.3866/PKU.WHXB20100539

Light Induced Interfacial Electron Transfer in Rup₂P Surface-Sensitized TiO₂-Based Films
ZHAI Xiao-Hui, ZHAO Jun-Yan, CHAO Hui, CAO Ya-An
TiO2/ITO, TiO2-Zn/ITO and TiO2/ZnO/ITO films were prepared by ion-beamsputtering, and then further surface-sensitized wi...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1617-1622. DOI: 10.3866/PKU.WHXB20100635

QUANTUM CHEMISTRY AND COMPUTATION CHEMISTRY

Electronic Structure Comparison between Pyrimorph and Its Phenyl Analog
LU Hui-Zhe, FENG Zhen-Gao, LI Chang, YUAN Hui-Zhu, QIN Zhao-Hai
Pyrimorph and its phenyl analog were prepared by chemical synthesis and their fungicidal activities were tested against ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1623-1628. DOI: 10.3866/PKU.WHXB20100628

Self Consistent Field Analysis on the Adsorption of Equilibrium Polymers between Two Parallel Plates
SUN Zhe, YUE Xin-Rong, LIU Chuan, ZHANG Ai
Self-consistent field theory is proposed to investigate equilibrium polymers adsorbed between two parallel plates. Accor...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1629-1636. DOI: 10.3866/PKU.WHXB20100601

Adsorption Separation of a Small Amount of 1,1,1,2-Tetrafluoroethane in Air Using Molecular Simulation
ZHANG Xiang, MA Cong-Cong, ZHANG Xue-Jun, SHAO Xiao-Hong, CAO Da-Peng
The adsorption and separation of a binary mixture of N2 and HFC-134a (1,1,1,2-tetrafluoroethane) on activated carbon fib...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1637-1642. DOI: 10.3866/PKU.WHXB20100619

Molecular Dynamics Simulation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Trehalose
LIU Fu-Feng, DONG Xiao-Yan, SUN Yan
The molecular mechanism of the conformational transition of amyloid peptide 42(Aβ42) inhibited by trehalose was stu...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1643-1650. DOI: 10.3866/PKU.WHXB20100613

Atomic Charge Transfer and Ensemble Selection inMolecular Dynamics Simulation of Vitreous Silica
DING Yuan-Fa, ZHANG Yue, ZHANG Da-Hai, LI Zhong-Ping
In this paper, we introduced charge transfer of Si and O atoms for molecular dynamics simulation of SiO2. The effect of ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1651-1656. DOI: 10.3866/PKU.WHXB20100615

Diffusion Rates of Gas Molecules Adsorbed in Metal-Organic Frameworks
MU Wei, LIU Da-Huan, YANG Qing-Yuan, ZHONG Chong-Li
A systematic equilibriummolecular dynamics study was performed to investigate the diffusion rates of gas molecules as a ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1657-1663. DOI: 10.3866/PKU.WHXB20100616

Phase Transition and Thermodynamic Properties of TiO₂
HU Yan-Fei, JIANG Gang, MENG Da-Qiao, KONG Fan-Jie
The phase transition of TiO2 from the rutile structure to the fluorite structure under pressure was investigated by the ...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1664-1668. DOI: 10.3866/PKU.WHXB20100607

Structures and Stabilities of Pb_mTe_n (m+n≤6) Clusters
GONG Xiao-Xia, DU Ji-Guang, JIANG Gang
Density functional theory (DFT) with the B3LYP method and the SDDbasis set was selected to investigate small PbmTen (m+n...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1669-1675. DOI: 10.3866/PKU.WHXB20100538

BIOPHYSICAL CHEMISTRY

Homology Modeling and Molecular Docking Studies on the Selectivity of HDAC1/HDAC8
ZHANG Yuan, CHEN Ya-Dong, YOU Qi-Dong, ZOU Li-Yun, YANG Yan
Histone deacetylases (HDACs) have emerged as important anti-tumor targets in recent years. As HDACs comprise multiple is...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1676-1686. DOI: 10.3866/PKU.WHXB20100645

Spectroscopy and Stopped-Flow/Fluorescence Studies on the Interactions ofMyoglobin and Its Mutant (D60K) with Surfactants
LI Yi-Wen, CAO Hong-Yu, TANG Qian, ZHENG Xue-Fang
The interactions of myoglobin (Mb) and its mutant Mb(D60K) with two surfactants were studied using stopped-flowfluoresce...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1687-1692. DOI: 10.3866/PKU.WHXB20100617

Microcalorimetric Investigation of Effect of Toad Bufanolide Diene on Tetrahymena Thermophila BF5 Growth
HAN Yu-Mei, XU Xiu-Ying, ZHANG Shao-Feng, YAN Dan, XIAO Xiao-He, PENG Cheng
The effects of various concentrations of toad bufanolide diene (BD) on the growth of Tetrahymena thermophila BF5 were in...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1693-1698. DOI: 10.3866/PKU.WHXB20100634

PHYSICAL CHEMISTRY OF MATERIALS

Synthesis and Magnetic Property of Shape-Controlled Nano-SrFe₁₂O₁₉
LI Qiao-Ling, CHANG Chuan-Bo, JING Hong-Xia, YANG Xiao-Feng
FeCl3 and NaOH were used as raw material and precipitator respectively to prepare a spherical Fe(OH)3 intermediate by ch...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1699-1704. DOI: 10.3866/PKU.WHXB20100623

Thermal Diffusion Synthesis and Characterization of SnO₂ Clusters within ZSM-5 Crystals
WU Jian, WANG Yu, HUANG Feng, YANG Yang, MENG Chang-Gong
We used thermal diffusion to load SnO2 into ZSM-5 crystals as it is regarded as a good host material for semiconductor g...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1705-1710. DOI: 10.3866/PKU.WHXB20100611

Synthesis and Adsorption Properties of Amino-Functionalized H₂N-Zr-Ce-SBA-15 Mesoporous Materials with Short Mesochannels
YUAN Jin-Fang, LI Jian-Sheng, GU Juan, WANG Fang, SUN Xiu-Yun, HAN Wei-Qing, WANG Lian-Jun
Amino-functionalizedH2N-Zr-Ce-SBA-15 (H2N-ZCS)mesoporousmaterialswith unique hexagonal platelet morphologies and short c...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1711-1716. DOI: 10.3866/PKU.WHXB20100624

Preparation and Characterization of Monolithic Silica Fiber/Al₂O₃ Aerogel Composites by Non-Supercritical Drying
WU Li-Na, HUANG Yu-Dong, WANG Zhi-Jiang, LIU Li
Low-density alumina aerogel/silica fiber composites were prepared by sol-gel technology and an atmospheric pressure dryi...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1717-1721. DOI: 10.3866/PKU.WHXB20100629

Preparation of Microporous Membranes by Swift Heavy Ion Irradiation and Impedance Characterization
QU Xiao-Hua, LIU Jie, WANG Zhao-Xiang, CAO Dian-Liang, FANG Xiang-Peng, ZHANG Ling, DUAN Jing-Lai, YAO Hui-Jun, CHEN Yan-Feng, SUN You-Mei, HOU Ming-Dong
Polypropylene (PP) microporous membranes were successfully prepared by swift heavy ion irradiation and track-etching. Po...
Acta Phys. -Chim. Sin. 2010, 26 (06), 1722-1726. DOI: 10.3866/PKU.WHXB20100618