Loading...
Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
Home
About Journal
About Journal
Editorial Board
Database Included
Impact Factor
Reader Center
Online First
Special Issue
Most Cited
Most Read
Most Downloaded
Volumn Content
Subject Content
Archive
Elsevier
Email Alert
Author Center
Online Submission
Submission Information
Review Online
Contact Us
中文
Current Issue
2013 Vol. 29,No. 10
Published: 26 September 2013
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
2013, 29 (10): 0.
932
Abstract/Metrics
1587
PDF(5269KB)
THERMALANALYSIS KINETICS ANDTHERMOKINETICS
Preface
ZHANG Jian-Jun
2013, 29 (10): 2069-2070.
DOI: 10.3866/PKU.WHXB201309172
1957
Abstract/Metrics
1029
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...
2013, 29 (10): 2071-2078.
DOI: 10.3866/PKU.WHXB201304251
3133
Abstract/Metrics
1469
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...
2013, 29 (10): 2079-2086.
DOI: 10.3866/PKU.WHXB201305021
3897
Abstract/Metrics
1624
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...
2013, 29 (10): 2087-2094.
DOI: 10.3866/PKU.WHXB201308301
3898
Abstract/Metrics
1147
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...
2013, 29 (10): 2095-2100.
DOI: 10.3866/PKU.WHXB201307122
5795
Abstract/Metrics
1792
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 ...
2013, 29 (10): 2101-2106.
DOI: 10.3866/PKU.WHXB201307153
2995
Abstract/Metrics
1181
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...
2013, 29 (10): 2107-2113.
DOI: 10.3866/PKU.WHXB201304172
4506
Abstract/Metrics
1682
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...
2013, 29 (10): 2114-2122.
DOI: 10.3866/PKU.WHXB201305103
3367
Abstract/Metrics
1071
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...
2013, 29 (10): 2123-2128.
DOI: 10.3866/PKU.WHXB201306051
3231
Abstract/Metrics
1393
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...
2013, 29 (10): 2129-2134.
DOI: 10.3866/PKU.WHXB201309101
3711
Abstract/Metrics
1014
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...
2013, 29 (10): 2135-2147.
DOI: 10.3866/PKU.WHXB201308011
5136
Abstract/Metrics
1978
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...
2013, 29 (10): 2148-2156.
DOI: 10.3866/PKU.WHXB201307291
3282
Abstract/Metrics
1177
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...
2013, 29 (10): 2157-2161.
DOI: 10.3866/PKU.WHXB201307293
4743
Abstract/Metrics
Supporting Info
2758
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...
2013, 29 (10): 2162-2172.
DOI: 10.3866/PKU.WHXB201308152
3375
Abstract/Metrics
1463
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...
2013, 29 (10): 2173-2179.
DOI: 10.3866/PKU.WHXB201308272
3730
Abstract/Metrics
1432
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...
2013, 29 (10): 2180-2186.
DOI: 10.3866/PKU.WHXB201307152
3245
Abstract/Metrics
Supporting Info
1523
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...
2013, 29 (10): 2187-2197.
DOI: 10.3866/PKU.WHXB201308142
2994
Abstract/Metrics
1633
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...
2013, 29 (10): 2198-2206.
DOI: 10.3866/PKU.WHXB201307294
3842
Abstract/Metrics
1508
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...
2013, 29 (10): 2207-2214.
DOI: 10.3866/PKU.WHXB201307191
3190
Abstract/Metrics
1654
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...
2013, 29 (10): 2215-2220.
DOI: 10.3866/PKU.WHXB201308141
3243
Abstract/Metrics
995
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...
2013, 29 (10): 2221-2231.
DOI: 10.3866/PKU.WHXB201307301
3872
Abstract/Metrics
1304
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...
2013, 29 (10): 2232-2238.
DOI: 10.3866/PKU.WHXB201308291
4144
Abstract/Metrics
1866
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 ...
2013, 29 (10): 2239-2244.
DOI: 10.3866/PKU.WHXB201308151
3760
Abstract/Metrics
6445
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...
2013, 29 (10): 2245-2254.
DOI: 10.3866/PKU.WHXB201308201
3262
Abstract/Metrics
1500
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...
2013, 29 (10): 2255-2262.
DOI: 10.3866/PKU.WHXB201308271
2650
Abstract/Metrics
1182
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...
2013, 29 (10): 2263-2270.
DOI: 10.3866/PKU.WHXB201307292
2865
Abstract/Metrics
Supporting Info
1318
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...
2013, 29 (10): 2271-2275.
DOI: 10.3866/PKU.WHXB201307162
3558
Abstract/Metrics
1430
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...
2013, 29 (10): 2276-2285.
DOI: 10.3866/PKU.WHXB201307161
3307
Abstract/Metrics
1694
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,...
2013, 29 (10): 2286-2294.
DOI: 10.3866/PKU.WHXB201307151
3574
Abstract/Metrics
1739
PDF(3155KB)