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中文
Current Issue
2013 Vol. 29, No. 10
Published online: 2013-09-26
Current column
Table of Contents
THERMALANALYSIS KINETICS ANDTHERMOKINETICS
REVIEW
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
BIOPHYSICAL CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Table of Contents
Cover and Table of Contents for Vol.29 No. 10
Acta Phys. -Chim. Sin. 2013, 29 (10), 0.
1214
Abstract/Metrics
1646
PDF(5269KB)
THERMALANALYSIS KINETICS ANDTHERMOKINETICS
Preface
ZHANG Jian-Jun
Acta Phys. -Chim. Sin. 2013, 29 (10), 2069-2070.
DOI: 10.3866/PKU.WHXB201309172
2319
Abstract/Metrics
1093
PDF(475KB)
Thermal Safety of 2,2,2-Trinitroethyl-
N
-nitromethyl Amine
HU Rong-Zu, ZHAO Feng-Qi, GAO Hong-Xu, MA Hai-Xia, ZHANG Hai, Xu Kang-Zhen, Zhao Hong-An, YAO Er-Gang
To evaluate the thermal safety of 2,2,2-trinitroethyl-N-nitromethyl amine (TNMA), basic data, including specific heat ca...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2071-2078.
DOI: 10.3866/PKU.WHXB201304251
3755
Abstract/Metrics
1596
PDF(515KB)
Effect of Drying Methods on the Structure and Thermal Decomposition Behavior of Ammonium Perchlorate/Graphene Composites
WANG Xue-Bao, LI Jin-Qing, LUO Yun-Jun
Graphene hydrogels were prepared by the sol-gel method, and then used to prepare ammonium perchlorate (AP)/graphene comp...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2079-2086.
DOI: 10.3866/PKU.WHXB201305021
4421
Abstract/Metrics
1811
PDF(2190KB)
Effects of Lead Complex-Based BTATz on Thermal Behaviors, Non-Isothermal Reaction Kinetics and Combustion Properties of DB/RDX-CMDB Propellants
LI Wen, REN Ying-Hui, ZHAO Feng-Qi, ZHANG Xian-Bo, MA Hai-Xia, XU Kang-Zhen, WANG Bo-Zhou, SONG Ji-Rong, HU Rong-Zu
The composite double base (DB)/hexogen (RDX)-modified double base (CMDB) propellants (Nos. DB001 and CMDB100) were prepa...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2087-2094.
DOI: 10.3866/PKU.WHXB201308301
4483
Abstract/Metrics
1316
PDF(471KB)
Thermal Decomposition Characteristic and Kinetics of AIBN in Aniline Solvent
PENG Min-Jun, LU Gui-Bin, CHEN Wang-Hua, CHEN Li-Ping, LÜ Jia-Yu
2,2-Azobisisobutyronitrile (AIBN) is a typical material that shows overlap between endothermic phase change and exotherm...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2095-2100.
DOI: 10.3866/PKU.WHXB201307122
6535
Abstract/Metrics
2635
PDF(394KB)
Thermokinetics of the Formation Reactions of Metal (Li, Na, Pb, Cu) Salts of 3-Nitro-1,2,4-triazol-5-one
LI Na, ZHAO Feng-Qi, GAO Hong-Xu, HU Rong-Zu, XIAO Li-Bai, YAO Er-Gang, HUANG Xin-Ping, CHANG Pei
The thermokinetics of the formation reactions of metal (Li, Na, Pb, Cu) salts of 3-nitro-1,2,4-triazol- 5-one (NTO) was ...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2101-2106.
DOI: 10.3866/PKU.WHXB201307153
3427
Abstract/Metrics
1273
PDF(293KB)
Ionic Association in Binary Ionic Liquids by Conductivity
NING Hui, HOU Min-Qiang, YANG De-Zhong, KANG Xin-Chen, HAN Bu-Xing
In this study, the conductivity of 13 ionic liquids (ILs) and 25 related binary mixtures were determined at temperatures...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2107-2113.
DOI: 10.3866/PKU.WHXB201304172
5291
Abstract/Metrics
2841
PDF(396KB)
Macrocyclic Hydrophobic Effect:Enthalpic Pairwise Interactions of Crown Ethers in Mixtures of DMF and Water
CHENG Wei-Na, HU Xin-Gen, SHAO Shuang
The dilution enthalpies of four crown ethers, namely 12-crown-4, 15-crown-5, 18-crown-6, and 4,13-diaza-18-crown-6, in p...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2114-2122.
DOI: 10.3866/PKU.WHXB201305103
3812
Abstract/Metrics
1142
PDF(573KB)
Low-Temperature Heat Capacity and Thermodynamic Functions of Ho(NO
3
)
3
(C
2
H
5
O
2
N)
4
·H
2
O
GAO Xiao-Han, XU Pei, DUAN Wen-Chao, LÜ Xue-Chuan, TAN Zhi-Cheng, LU Qiang
A complex of a rare-earth metal (Ho) nitrate with glycine (C2H5O2N), Ho(NO3)3(C2H5O2N)4·H2O, was synthesized, and...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2123-2128.
DOI: 10.3866/PKU.WHXB201306051
3776
Abstract/Metrics
1497
PDF(565KB)
Low Temperature Heat Capacities and Standard Molar Enthalpy of Formation of the Coordination Compound Zn(Met)
3
(NO
3
)
2
·H
2
O(s)(Met=L-
α
-Methionine)
ZHANG Guo-Chun, ZHOU Chun-Sheng, GAO Sheng-Li
Low temperature heat capacities of the compound Zn(Met)3(NO3)2·H2O(s) have been measured by a precision automated...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2129-2134.
DOI: 10.3866/PKU.WHXB201309101
4214
Abstract/Metrics
1112
PDF(340KB)
REVIEW
Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers
CAO Guo-Jin, ZHENG Wei-Jun
Nucleobases in DNA and RNA are important building blocks of the genetic codes and are critical in transferring genetic i...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2135-2147.
DOI: 10.3866/PKU.WHXB201308011
5974
Abstract/Metrics
2516
PDF(1492KB)
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Thermodynamic Optimization of the Al-Fe-P Ternary System
CAO Zhan-Min, XIE Wei, WANG Kun-Peng, NIU Chun-Ju, DU Guang-Wei, QIAO Zhi-Yu
A critical thermodynamic optimization of the Al-Fe-P ternary system was performed using the CALPHAD method. Among the su...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2148-2156.
DOI: 10.3866/PKU.WHXB201307291
4009
Abstract/Metrics
1637
PDF(553KB)
Density, Viscosity and Conductivity of Protic Ionic Liquid
N,N
-DimethylethanolammoniumPropionate
LI Chang-Ping, LI Zhuo, ZOU Ben-Xue, LIU Qing-Shan, LIU Xiao-Xia
The density, viscosity, and conductivity of protic ionic liquid (PIL) N,N-dimethylethanolammonium propionate (DMEOAP) we...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2157-2161.
DOI: 10.3866/PKU.WHXB201307293
5184
Abstract/Metrics
Supporting Info
2951
PDF(565KB)
Synthesis and Characterization of a Cu(I) Complex of Dipyrido[3,2-a:2’,3’-c]-7-aza-phenazine and Its Interaction with DNA
GAO Yun-Yan, CAO Lu, OU Zhi-Ze, CHEN Chen, LI Yi, WANG Xue-Song
A 1,10-phenanthroline dipyrido[3,2-a:2',3'-c]-7-aza-phenazine derivative (dpapz) and its Cu(I) complex [Cu(dpapz)2]PF6 a...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2162-2172.
DOI: 10.3866/PKU.WHXB201308152
3864
Abstract/Metrics
1529
PDF(1485KB)
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Towards Understanding the Origin and Nature of the Conformational Stability of Water Clusters:a Density Functional Theory and Quantum Molecular Dynamics Study
WANG You-Juan, ZHAO Dong-Bo, RONG Chun-Ying, LIU Shu-Bin
To find out what interaction dictates the molecular stability is essential, yet still controversial even for simplest mo...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2173-2179.
DOI: 10.3866/PKU.WHXB201308272
4255
Abstract/Metrics
1607
PDF(892KB)
Ab Initio
Molecular Dynamics Simulations of Structural Properties of Be
2+
in Water, Methanol and Ethanol
ZENG Yong-Ping, SHI Rong, YANG Zheng-Hua
Car-Parrinello molecular dynamics simulations are performed on Be2+ ion in water, methanol, and ethanol to study their s...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2180-2186.
DOI: 10.3866/PKU.WHXB201307152
3616
Abstract/Metrics
Supporting Info
2085
PDF(1489KB)
Theoretical Study of Calix[4]pyrrole Complexes with Halide and AmmoniumIons
CHEN Xue-Song, LU Peng-Fei, DONG Yu-Hui, XIE Ju
Density functional theory M06-2X/6-31G(d, p) was used on complexes of calix[4]pyrrole (CP) with halide anions (X-=F-, Cl...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2187-2197.
DOI: 10.3866/PKU.WHXB201308142
3574
Abstract/Metrics
1815
PDF(4806KB)
Quantum Chemical Study on the Adsorption of Formic on a Pt-Sn(111)/CAlloy Surface
TANG Fa-Wei, GUO Wei-Min, TANG Nan-Nan, PEI Jun-Yan, XU Xuan
Density functional theory (DFT) and self-consistent periodic calculations were used to investigate the adsorption of for...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2198-2206.
DOI: 10.3866/PKU.WHXB201307294
4357
Abstract/Metrics
1680
PDF(1552KB)
Molecular Simulation on Hydrogen Storage Capacities of Porous Metal Organic Frameworks
WU Xuan-Jun, ZHENG Ji, LI Jiang, CAI Wei-Quan
The adsorption equilibriumproperties of H2 molecules in various metal-organic frameworks (MOFs) including IRMOF-61, IRMO...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2207-2214.
DOI: 10.3866/PKU.WHXB201307191
3700
Abstract/Metrics
1940
PDF(2039KB)
Nonlinear Optical Properties:Second Harmonic Generation for Aromatic Amino Acids
WEI Jing, CHENG Wen-Dan
The geometrical structures of a series of neutral, protonated, and deprotonated aromatic amino acids (Phe, [Phe―H]-, Phe...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2215-2220.
DOI: 10.3866/PKU.WHXB201308141
3825
Abstract/Metrics
1190
PDF(1460KB)
ELECTROCHEMISTRY AND NEW ENERGY
Inhibition Effect of Pyrimidine Derivatives on the Corrosion of Steel in Hydrochloric Acid Solution
LI Xiang-Hong, XIE Xiao-Guang
The inhibition effect of two pyrimidine derivatives, 2- hydroxypyrimidine (HP) and 2- mercaptopyrimidine (MP), on the co...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2221-2231.
DOI: 10.3866/PKU.WHXB201307301
4308
Abstract/Metrics
1487
PDF(1532KB)
CATALYSIS AND SURFACE SCIENCE
Cu-Doped Titania Nanotubes for Visible-Light Photocatalytic Mineralization of Toluene
ZHAO Wei-Rong, XI Hai-Ping, LIAO Qiu-Wen
Based on hydrogen titanate nanotubes prepared by a low-temperature hydrothermal technique, Cu-doped titania nanotube (Cu...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2232-2238.
DOI: 10.3866/PKU.WHXB201308291
4675
Abstract/Metrics
2039
PDF(838KB)
Preparation of Fe
3
O
4
Modified Pt-Ru/C Nanocatalysts and Their Catalytic Properties for the Selective Hydrogenation of
ortho
-Chloronitrobenzene under Solvent-Free Conditions
WANG Ya-Nan, YANG Yu-Xia, LI Yong-Wen, LAI Jun-Hua, SUN Kun-Peng
Aseries of Fe3O4-modified Pt-Ru/C nanocomposite catalysts were prepared by impregnation and hydrazine hydrate reduction ...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2239-2244.
DOI: 10.3866/PKU.WHXB201308151
4168
Abstract/Metrics
6502
PDF(19455KB)
Catalytic Behaviors and Stability of Aerogel Silica-Supported Ni Catalysts for the Partial Oxidation of Methane into Synthesis Gas
LI Qi, HOU Yu-Hui, DONG Ling-Yu, HUANG Ming-Xiang, WENG Wei-Zheng, XIA Wen-Sheng, WAN Hui-Lin
Two types of aerogel silica, denoted as SiO2-A(or B)G are synthesized with either solvent substitution (A) or solvent su...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2245-2254.
DOI: 10.3866/PKU.WHXB201308201
3671
Abstract/Metrics
1667
PDF(4296KB)
Influence of Adding Zr
0.5
Ti
0.5
O
2
on the Performance of Supercritical Cracking Catalyst for RP-3
JIAO Yi, QIN Li-Xiao, LI Xiong-Jian, WANG Jia, WANG Jian-Li, ZHU Quan, LI Xiang-Yuan, CHEN Yao-Qiang
Zr0.5Ti0.5O2 was prepared by co-precipitation and tested for its catalytic performance under supercritical conditions wh...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2255-2262.
DOI: 10.3866/PKU.WHXB201308271
3063
Abstract/Metrics
1313
PDF(1368KB)
Hydrolysis of Methyl-
β
-D-cellobioside Catalyzed by Functional Micelles with Glutamic Acid under Mild Conditions
LIU Ying, MENG Xiang-Guang, YU Wei-Feng, LI Xiao-Hong, PENG Xiao
Asurfactant with long alkyl chains and glutamic acid, Nα-dodecyl-L-glutamic acid, was synthesized. Micelles of thi...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2263-2270.
DOI: 10.3866/PKU.WHXB201307292
3155
Abstract/Metrics
Supporting Info
1469
PDF(940KB)
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
Preparation and Luminescence Properties of Dy
3+
-Doped Full-Color Emitting Ca
9
La(PO
4
)
7
Phosphors
HU Zheng-Fa, MENG Tao, ZHANG Wei, CUI Yue-Peng, LUO Li, WANG Yin-Hai
Dy3+-doped Ca9La(PO4)7 phosphors were synthesized by a high-temperature solid-state reaction. X-ray diffraction (XRD) an...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2271-2275.
DOI: 10.3866/PKU.WHXB201307162
4066
Abstract/Metrics
1712
PDF(709KB)
BIOPHYSICAL CHEMISTRY
Reverse Virtual Screening on Persistent Organic Pollutants 4,4’-DDE and CB-153
XU Xian-Jin, SU Ji-Guo, LIU Bin, LI Chun-Hua, TAN Jian-Jun, ZHANG Xiao-Yi, CHEN Wei-Zu, WANG Cun-Xin
Persistent organic pollutants (POPs) cause various diseases in both human and wildlife and have become a new global envi...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2276-2285.
DOI: 10.3866/PKU.WHXB201307161
3826
Abstract/Metrics
1795
PDF(1334KB)
PHYSICAL CHEMISTRY OF MATERIALS
Controllable Preparation of Rambutan-Shape AlOOH/Al
2
O
3
Nanomaterials with a Composite Soft Template
XU Jing, QIANG Jin-Feng, WANG Rui-Juan, NIU Wen-Jun, SHEN Ming
Using PEG4000-DL-aspartic acid as a composite soft template, Al(NO3)3 as an aluminumsource and urea as an alkali source,...
Acta Phys. -Chim. Sin. 2013, 29 (10), 2286-2294.
DOI: 10.3866/PKU.WHXB201307151
4346
Abstract/Metrics
1978
PDF(3155KB)