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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2012,Vol.28>> Issue(11)>> 2558-2566     doi: 10.3866/PKU.WHXB201208271         中文摘要
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
Simulation Study of the Effect ofMethanol on the Structure and Properties of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid
WANG Ding, TIAN Guo-Cai
Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, P. R. China
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The microstructure and properties of 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM] [BF4])/methanol mixtures with different amount-of-substance fractions for methanol (0.1-0.9) were studied by molecular dynamics (MD) simulations at 298.15 K and 0.1 MPa. The densities, radial distribution functions, coordination numbers, self-diffusion coefficients, viscosities, and conductivities of the systems were obtained. The simulated densities agreed with experimental values. As the methanol amount-ofsubstance fraction increased, the radial distribution functions of different components in the mixture showed regular changes, the interaction between the anion and cation and the viscosity decreased, and the conductivity and the self-diffusion coefficients increased. The spatial distribution functions obtained from the MD simulations were visualized to depict the microscopic structures of different components in the system.



Keywords: Ionic liquid   1-Butyl-3-methylimidazolium tetrafluoroborate   Methanol   Molecular dynamics simulation   Microstructure   Physicochemical property  
Received: 2012-06-12 Accepted: 2012-08-24 Publication Date (Web): 2012-08-27
Corresponding Authors: Email: tiangc01@gmail.com

Fund: The project was supported by the National Natural Science Foundation of China (50904031, 51264021), Back-up Personnel Foundation of Academic and Technology Leaders of Yunnan Province, China (2011CI013), and Natural Science Foundation of Yunnan Province, China (2008E0049M).

Cite this article: WANG Ding, TIAN Guo-Cai. Simulation Study of the Effect ofMethanol on the Structure and Properties of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2012,28 (11): 2558-2566.    doi: 10.3866/PKU.WHXB201208271

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65. AI Yi-Xin, LU Jun-Rui, XIN Chun-Wei, MU Jiang-Bei, YANG Xu-Yun, ZHANG He.Simulated Mechanism of Triclosan in Modulating the Active Site and Loop of FabI by Computer[J]. Acta Phys. -Chim. Sin., 2014,30(3): 559-568
66. MEI Qing-Qing, HOU Min-Qiang, NING Hui, MA Jun, YANG De-Zhong, HAN Bu-Xing.Microstructure and Intermolecular Interactions of [Bmim][PF6]+Water+ Alcohol Systems: A Molecular Dynamics Simulation Study[J]. Acta Phys. -Chim. Sin., 2014,30(12): 2210-2215
67. YUE Ling, HE Zi-Meng, WANG Yu-Qin, SHANG Ya-Zhuo, LIU Hong-Lai.Effect of the Surfactant C12mimBr on the Aggregation Behavior of Gemini12-2-12 at an Air/Water Interface, Investigated Using an Interfacial Dilational Rheology Method[J]. Acta Phys. -Chim. Sin., 2014,30(12): 2291-2299
68. SUN Qian, YANG Xiong-Bo, GAO Ya-Jun, ZHAO Jian-Wei.Molecular Dynamics Simulation of the Deformation Behavior of Ag Nanowires with Different Twin Boundary Density under Tension Loading[J]. Acta Phys. -Chim. Sin., 2014,30(11): 2015-2023
69. ZHANG Ji-Wei, BIAN Fu-Yong, SHI Guo-Jun, XU Si-Chuan.Molecular Dynamics Simulation of Dopamine Diffusion within and Permeation through POPC Phospholipid Bilayer Membrane[J]. Acta Phys. -Chim. Sin., 2014,30(1): 183-193
70. SHAN Sheng-Sheng, YAN Chao, XU Liang.Dihedral Dynamics Analyses of the Polymorphic Properties of Zn2+-Bound Amyloid β40 (Aβ40) and β42 (Aβ42)[J]. Acta Phys. -Chim. Sin., 2013,29(12): 2630-2638
71. ZENG Yong-Ping, SHI Rong, YANG Zheng-Hua.Ab Initio Molecular Dynamics Simulations of Structural Properties of Be2+ in Water, Methanol and Ethanol[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2180-2186
72. LI Chang-Ping, LI Zhuo, ZOU Ben-Xue, LIU Qing-Shan, LIU Xiao-Xia.Density, Viscosity and Conductivity of Protic Ionic Liquid N,N-DimethylethanolammoniumPropionate[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2157-2161
73. NING Hui, HOU Min-Qiang, YANG De-Zhong, KANG Xin-Chen, HAN Bu-Xing.Ionic Association in Binary Ionic Liquids by Conductivity[J]. Acta Phys. -Chim. Sin., 2013,29(10): 2107-2113
74. SUN Wei, ZHANG Jin-Jiang, ZHAO Jian-Wei.Molecular Dynamics Simulation of a Nanosized Device[J]. Acta Phys. -Chim. Sin., 2013,29(09): 1931-1936
75. HAO Ai-Xiang, YU Yang, CHEN Hai-Bo, MAO Chun-Peng, WEI Shi-Xin, YIN Yu-Sheng.Effect of Surface Promoters-Modifying on Catalytic Performance of Cu/ZnO/Al2O3 Methanol Synthesis Catalyst[J]. Acta Phys. -Chim. Sin., 2013,29(09): 2047-2055
76. ZHANG Ning, LI Wei-Zhong, CHEN Cong, ZUO Jian-Guo.Evaluation of the Application of Hydrogen Bonding Criteria to DMSO Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2013,29(09): 1891-1899
77. WU Jing-Ke, SHEN Xing-Hai, CHEN Qing-De.Electrochemical Behavior of the System of Uranium(VI) Extraction with CMPO-Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1705-1711
78. GE Zhen-Peng, SHI Yan-Chao, LI Xiao-Yi.Effects of Orthogonal Electric Field on Water Flux through a Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1655-1660
79. MA Jing-Yuan, ZOU Yang, JIANG Zheng, HUANG Yu-Ying.Effect of the Ratio between Ionic Liquids [BMIM]Br and [BMIM][BF4] on the Charge Transfer of Br-[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1618-1622
80. CHENG Hai-Long, XU Jing-Mei, WANG Zhe, REN Chun-Li, BAI Hong-Wei, ZHAO Cheng-Ji, ZHANG Hui-Xuan.Sulfonated Poly(aryl ether ketone) on Side Chain/Sulfonated Poly(vinyl alcohol) Composite Proton Exchange Membrane for Direct Methanol Fuel Cells[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1515-1523
81. LI Ling-Ling, Janik J. Michael, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-Wen.Reaction Mechanism of Toluene Methylation with Dimethyl Carbonate or Methanol Catalyzed by H-ZSM-5[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1467-1478
82. ZHOU Yang, LIU Wei-Ming, HU Xian-Chao, CHU You-Qun, MA Chun-An.Nano-WO3 Composite Materials as Electro-Catalyst for Methanol Oxidation[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1487-1493
83. ZHANG Jin-Gui, QIAN Wei-Zhong, TANG Xiao-Ping, SHEN Kui, WANG Tong, HUANG Xiao-Fan, WEI Fei.Influence of Catalyst Acidity on Dealkylation, Isomerization and Alkylation in MTA Process[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1281-1288
84. PEI Qi-Fei, HUA Yi-Xin, XU Cun-Ying, ZHANG Qi-Bo, LI Yan, RU Juan-Jian, GONG Kai.Dissolution Process of an Aluminum Anode in Acidic AlCl3-BMIC Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2013,29(05): 946-952
85. CUI Ying, KUANG Yin-Jie, ZHANG Xiao-Hua, LIU Bo, CHEN Jin-Hua.Spontaneous Deposition of Pt Nanoparticles on Poly(diallyldimethylammonium chloride)/Carbon Nanotube Hybrids and Their Electrocatalytic Oxidation of Methanol[J]. Acta Phys. -Chim. Sin., 2013,29(05): 989-995
86. BAI Shu, LI Hao, ZHANG Lin.Standing Orientation of Lysozymes Induced by Electrostatically Repulsive Surface[J]. Acta Phys. -Chim. Sin., 2013,29(04): 849-857
87. SUN Wei-Qi, ZHANG Ji-Long, ZHENG Qing-Chuan, SUN Zhi-Wei, ZHANG Hong-Xing.Molecular Dynamics Simulations of the Unbinding of Phenylsulfonamide from Carbonic Anhydrase II[J]. Acta Phys. -Chim. Sin., 2013,29(04): 843-848
88. SONG Fenhong, LIU Chao, ZHOU Xuan.Molecular Dynamics Simulation of Heterogeneous Nucleation of Argon Vapor onto a Spherical Solid Particle[J]. Acta Phys. -Chim. Sin., 2013,29(04): 715-722
89. NING Hui, HOU Min-Qiang, MEI Qing-Qing, YANG De-Zhong, HAN Bu-Xing.Phase Behaviors of 1-Butyl-3-methylimidazolium Hexafluorophosphate+Water+Alcohol Systems[J]. Acta Phys. -Chim. Sin., 2013,29(04): 678-682
90. SHI Ji-Pei, ZHAO Juan, YANG Fan, WANG Jian-Ping.Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide[J]. Acta Phys. -Chim. Sin., 2013,29(04): 695-700
91. CUI Zhen-Peng, WANG Shuo-Jue, AO Yin-Yong, PENG Jing, LI Jiu-Qiang, ZHAI Mao-Lin.Study of γ Radiation-Induced Colored Products on [Cnmim][NTf2] Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2013,29(03): 619-624
92. YUAN Zai-Wu, YUAN Jing, LÜ Xin, ZHANG Jian, XU Gui-Ying.Research Progress on the Interactions between Polysaccharides and Surfactants[J]. Acta Phys. -Chim. Sin., 2013,29(03): 449-459
93. WANG Hai, XU Xue-Qing, SHI Ji-Fu, XU Gang.Application of Ionic Liquids with Carboxyl and Aromatic Ring Conjugated Anions in Dye-Sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2013,29(03): 525-532
94. WU Yong-Quan, SHEN Tong, LU Xiu-Ming, ZHANG Ning, LAI Li-Shan, GAO Shuai.Solidification of Liquid Fe with Embedded Homogeneous Solid Fe Nanoparticles from Molecular Dynamics Simulations[J]. Acta Phys. -Chim. Sin., 2013,29(02): 245-249
95. WANG Feng, YAN Shu-Jun, YONG Xiao-Jing, LUO Chun-Tao, ZHANG Qing, WEN Peng-Yu, GONG Yan-Jun, DOU Tao.Effects of Na+ in Dilution Steam and Coke Deposition on Catalytic Performance of Methanol-to-Propylene Catalysts[J]. Acta Phys. -Chim. Sin., 2013,29(02): 358-364
96. ZHOU Yang, CHU You-Qun, LIU Wei-Ming, MA Chun-An.Nano-WO3 Modified Carbon Nanotube Supported Pt and Their Electrocatalytic Activity for Methanol Electro-Oxidation[J]. Acta Phys. -Chim. Sin., 2013,29(02): 287-292
97. BAI Shu, ZHOU Rong, LIU Fu-Feng.Rational Design of Affinity Ligand for the Oriented Immobilization of Trypsin[J]. Acta Phys. -Chim. Sin., 2013,29(02): 439-448
98. WANG Xiao-Juan, LI Zhi-Yi, LIU Zhi-Jun.Molecular Dynamics Simulations on Hydrolysis of Zinc Acetate in Supercritical Water[J]. Acta Phys. -Chim. Sin., 2013,29(01): 23-29
99. GE Song, CHEN Min.Effects of Surface Charge and Electric Field on the Interfacial Thermal Resistance at Liquid/Solid Interfaces[J]. Acta Phys. -Chim. Sin., 2012,28(12): 2939-2943
100. DONG Xiao-Yan, DU Wen-Jie, LIU Fu-Feng.Molecular Dynamics Simulation and Binding Free Energy Calculation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Peptide Inhibitors[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2735-2744
101. ZhONG Hao-Xiang, ZHAO Chun-Bao, LUO Hao, ZHANG Ling-Zhi.Novel Organosilicon Ionic Liquid Based Electrolytes for Supercapacitors[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2641-2647
102. ZHENG Ning, ZHU Chun-Mei, SUN Bin, SHI Zu-Jin, LIU Yan, WANG Yuan.Nanocomposite Cathode Catalyst with High Methanol Tolerance and Durability[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2263-2268
103. CHEN Wen-Long, LIU Hai-Chao.Relationship between the Structures of Metal Oxide Catalysts and Their Properties in Selective Oxidation of Methanol[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2315-2326
104. ZHOU Xin-Wen, GAN Ya-Li, SUN Shi-Gang.Studies of Oxidation Processes of Methanol on Hollow CoPt Nanospheres and In situ Electrochemical Fourier Transform Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2071-2076
105. YAO Min, HU Si, WANG Jian, DOU Tao, WU Yong-Ping.Size Effect of HZSM-5 Zeolite on Catalytic Conversion of Methanol to Propylene[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2122-2128
106. NI Zhe-Ming, LI Yuan, SHI Wei, XUE Ji-Long, LIU Jiao.Supramolecular Structure, Electronic Property and Stability of Ni-Mg-Al Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2051-2056
107. LUO Fang, GAO Jian, CHENG Yuan-Hua, CUI Wei, JI Ming-Juan.Interaction Mechanisms of Inhibitors of Glucoamylase by Molecular Dynamics Simulations and Free Energy Calculations[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2191-2201
108. WANG Yan-Hong, CHEN Yu-Juan, BAO Ling, LANG Xue-Mei, FAN Shuan-Shi.Molecular Dynamics Simulation of CH4 Hydrate Decomposition in the Presence of Poly(2-ethyl-2-oxazoline)[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1683-1690
109. XU Zhao-Ying, ZHAO Li-Ling, CAO Zan-Xia, WANG Ji-Hua.Effects of the Residue Mutations on the Segment of P53-DNA Binding Region Based on Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1665-1675
110. ZHAO Xue-Yan, CAO Yu-Rong, CAO Gui-Rong, XIAO Rui-Jie.Lamellar Liquid Crystalline Phase Formed by Triblock Copolymer L64 in 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1411-1417
111. LAI Li-Shan, WU Yong-Quan, SHEN Tong, ZHANG Ning, GAO Shuai.Molecular Dynamics Simulation of Induced Solidification Process of Pure Liquid Fe by Al2O3 Nanoparticles[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1347-1354
112. LÜ Yong-Jun, CHEN Min.Molecular Transport through Finite-Length Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1070-1076
113. GAO Yu-Fei, MENG Qing-Yuan, ZHANG Lu, LIU Jia-Qiu, JING Yu-Hang.Molecular Dynamics Simulation of Thermal Transport Properties for Boron Nitride Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1077-1084
114. ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia.Quasi-Elastic Neutron Scattering Spectroscopy of the 1-Propanol/Water Solution by Molecular Dynamics Simulations[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1037-1044
115. NIE Su-Lian, ZHAO Yan-Chun, FAN Jie-Wen, TIAN Jian-Niao, NING Zhen, LI Xiao-Xiao.Highly Active Pd-Co3O4/MWCNTs Catalysts for Methanol Electrocatalytic Oxidation[J]. Acta Phys. -Chim. Sin., 2012,28(04): 871-876
116. LI Hai-Lan, JIA Yu-Xiang, HU Yang-Dong.Molecular Dynamics Simulation of the Desalination of Sea Water by a Forward Osmosis Membrane Containing Charged Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(03): 573-577
117. GONG Yan-Yan, LIU Min, JIA Song-Yan, FENG Jian-Ping, SONG Chun-Shan, GUO Xin-Wen.Production of 5-Hydroxymethylfurfural from Inulin Catalyzed by Sulfonated Amorphous Carbon in an Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2012,28(03): 686-692
118. YANG Dong-Hua, ZHAO Jun-Fu, ZHANG Jun-Liang, DOU Tao, WU Zhong-Hua, CHEN Zhong-Jun.Designed Synthesis and Crystallization of Fe-Al-EU-1 Zeolites Containing Framework-Iron[J]. Acta Phys. -Chim. Sin., 2012,28(03): 720-728
119. WU Gui-Sheng, MAO Dong-Sen, LU Guan-Zhong, CAO Yong, FAN Kang-Nian.In situ Infrared Characterization of Methanol Adsorption on ZrO2 Modified Cu Catalysts[J]. Acta Phys. -Chim. Sin., 2012,28(02): 433-436
120. ZHU Ying-Hong, ZENG Hong-Yan, LI Shan-Shan, LU Zai-Xiang, MA Chun-An.Electrochemical Oxidation of p-Methoxy Toluene in BMIMBF4 Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2012,28(02): 421-426
121. CHEN Xiao-Yun, LU Dong-Fang, HUANG Jin-Feng, LU Yan-Feng, ZHENG Jian-Qiang.Preparation and Properties of N-F Co-Doped TiO2 Photocatalyst with Wide Range Light Response and Multipore Structure from Ionic Liquid-Water Mixture Solvent[J]. Acta Phys. -Chim. Sin., 2012,28(01): 161-169
122. LIU Zhen, LIU Gou-Sheng, YU Jian-Guo.Effect of Primary Alkylamine Adsorption on Muscovite Hydrophobicity[J]. Acta Phys. -Chim. Sin., 2012,28(01): 201-207
123. GUO Xiao-Ming, MAO Dong-Sen, LU Guan-Zhong, WANG Song.Preparation of CuO-ZnO-ZrO2 by Citric Acid Combustion Method and Its Catalytic Property for Methanol Synthesis from CO2 Hydrogenation[J]. Acta Phys. -Chim. Sin., 2012,28(01): 170-176
124. GAO Li-Xia, WANG Li-Na, QI Tao, YU Jiang.Preparation of Ni and Ni-Al Alloys from 2AlCl3/Et3NHCl Ionic Liquid by Electrodeposition[J]. Acta Phys. -Chim. Sin., 2012,28(01): 111-120
125. LI Qing-Wu, WEI Zi-Dong, CHEN Si-Guo, QI Xue-Qiang, LIU Xiao, DING Wei, MAYu.PtSnCo/C Anode Catalyst for Methanol Oxidation[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2857-2862
126. ZENG Yong-Ping, ZHU Xiao-Min, YANG Zheng-Hua.Car-Parrinello Molecular Dynamics Simulations of Microstructure Properties of Liquid Water, Methanol and Ethanol[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2779-2785
127. LIU Qing-Shan, YAN Pei-Fang, YANG Miao, TAN Zhi-Cheng, LI Chang-Ping, WELZ-BIERMANN Urs.Dynamic Viscosity and Conductivity of Ionic Liquids [Cnpy][NTf2] (n=2, 4, 5)[J]. Acta Phys. -Chim. Sin., 2011,27(12): 2762-2766
128. WU Xiao-Jing, DAI Yun, ZHANG Nan, LI Jing.Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2535-2540
129. ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia.Hydrogen Bond Lifetime Definitions and the Relaxation Mechanism in Water Solutions[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2547-2552
130. RAO Gui-Shi, CHENG Mei-Qin, ZHONG Yan, DENG Xiao-Cong, YI Fei, CHEN Zhi-Ren, ZHONG Qi-Ling, FAN Feng-Ru, REN Bin, TIAN Zhong-Qun.Preparation of High Catalytic Platinum Hollow Nanospheres and Their Electrocatalytic Performance for Methanol Oxidation[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2373-2378
131. DANG Dai, GAO Hai-Li, PENG Liang-Jin, SU Yun-Lan, LIAO Shi-Jun, WANG Ye.Preparation of High Performance Core-Shell PdRu@Pt/CNT Electrocatalyst[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2379-2384
132. JIN Yi, WANG Yue, BIAN Fu-Yong, SHI Qiang, GE Mao-Fa, WANG Shu, ZHANG Xing-Kang, XU Si-Chuan.Three-Dimensional Structure of Dopamine 3-Subtype Receptor with the Active Site Residues for the Binding of Dopamine[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2432-2446
133. LI Wei, QI Chuan-Song, WU Xin-Min, RONG Hua, GONG Liang-Fa.Relationship between Melting Point and the Interaction Energy of Alkyl Imidazolium Tetrafluoroborate Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2059-2064
134. FU Su-Zhen, CHEN Qing-De, SHEN Xing-Hai.Aggregation Behavior of 1-Alkyl-3-methylimidazolium Tetrafluoroborate Ionic Liquids in Aqueous Solutions[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1913-1918
135. WEN Sheng, GONG Chun-Li, TSAI Fang-Chang, YEH Jen-Taut.Properties of SPES/AlOOH Composite Proton Exchange Membranes[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1886-1892
136. ZHAO Jing, SUN Yue, LI Yong-Jun, LIANG Ren.Preparation of ‘Sandwich-Like’ Au/Pt Composite Multilayer Films for Methanol Electrooxidation[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1868-1874
137. XU Pei-Jun, TANG Yuan-Yuan, ZHANG Jing, ZHANG Zhi-Bo, WANG Kun, SHAO Ying, SHEN Hu-Jun, MAO Ying-Chen.Molecular Dynamics Simulation of Organic Solvents Based on the Coarse-Grained Model[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1839-1846
138. XU Qun-Jie, LI Jin-Guang, LI Qiao-Xia.Preparation of Mesoporous Carbon at Different Temperatures as a Catalyst Support for Direct Methanol Fuel Cells[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1881-1885
139. LIU Yu-Sheng, FU Hai-Ying, TANG Zhong-Feng, HUANG Wei, WU Guo-Zhong.Melting Point and Structure of Ionic Liquid [EMIM][PF6] on the Surface of Nano-SiOx Particles[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1725-1729
140. ZHANG Li-Zhi, YANG Hao-Lin, ZHAO Dai-Qing, JIANG Li-Qiao.Influence of Methanol Addition on the Two Stage Combustion of a Dimethyl Ether/Air Mixture[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1560-1566
141. SHI Jin-Jie, SUN Wei.Effect of Benzotriazole as Corrosion Inhibitor for Reinforcing Steel in Cement Mortar[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1457-1466
142. LIU Yun-Hong, GAO Ya-Jun, WANG Fen-Ying, ZHU Tie-Min, ZHAO Jian-Wei.Molecular Dynamics Simulation of the Influence of Crystal Orientation on the Formation Probability of Silver Monoatomic Chains during Stretching[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1341-1345
143. CHEN Cong, LI Wei-Zhong, SONG Yong-Chen, WENG Lin-Dong.Structure and Kinetics of Hydrogen Bonds in Aqueous Glucose Solutions[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1372-1378
144. LIU Zhen-Hai, SHANG Ya-Zhuo, HUANG Yong-Min, PENG Chang-Jun, LIU Hong-Lai.Disassembly of Polyelectrolyte/Surfactants Complex Induced by Macroions[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1135-1142
145. DU Yu-Dong, ZHAO Wei-Na, GUO Xin, ZHANG Yong-Fan, CHEN Wen-Kai.Adsorption and Dissociation of Methanol on Perfect FeS2(100) Surface[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1075-1080
146. LONG Jin-Xing, GUO Bin, LI Xue-Hui, WANG Fu-Rong, WANG Le-Fu.Catalytic Decomposition of Cellulose in Cooperative Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2011,27(05): 995-999
147. ZHU Guang-Lai, WU Guo-Zhong, CUI Zhi-Feng, XU Xin-Sheng.Transient Absorption Spectroscopy of the Effects of the Ionic Liquid [bmim][BF4] on the Photochemical Reactions of Benzil[J]. Acta Phys. -Chim. Sin., 2011,27(04): 971-976
148. DING Xiao-Chun, CHEN Xiu, ZHOU Jian-Hua, WANG Tao, SUN Dun, HE Jian-Ping.Pt-Ni Catalyst Supported on CMK-5 for the Electrochemical Oxidation of Methanol[J]. Acta Phys. -Chim. Sin., 2011,27(03): 711-716
149. ZHANG Qi-Bo, HUA Yi-Xin.Effect of Alkylimidazolium Ionic Liquids on the Corrosion Inhibition of Copper in Sulfuric Acid Solution[J]. Acta Phys. -Chim. Sin., 2011,27(03): 655-663
150. LIU Bo, HUANG Shi-Ping, ZHU Ji-Qin, WANG Peng, TIAN Hui-Ping.Effect of Temperature on the Structural and Thermodynamic Properties of Aqueous Dimethyl Sulfoxide[J]. Acta Phys. -Chim. Sin., 2011,27(02): 289-294
151. HU Song-Qing, YU Li-Jun, YAN You-Guo, ZHANG Jun, REN Zhen-Jia, TI Yang.Experimental and Theoretical Study of the Synergistic Inhibitive Effect of SDBS and HA[J]. Acta Phys. -Chim. Sin., 2011,27(02): 275-280
152. JIA Yu-Xiang, LI Yan, HU Yang-Dong.Behavior of Carbon Nanotube Membranes as Channels of Salt and Water in Forward Osmosis Process[J]. Acta Phys. -Chim. Sin., 2011,27(01): 228-232
153. LIU Xiao-Yu, LI Chun, TIAN Wen-Yu, CHEN Tao, WANG Lu-Hua, ZHENG Zhong, ZHU Jian-Bo, SUN Mao, LIU Chun-Li.Molecular Dynamics Modeling of Uranyl Ion Adsorption onto the Basal Surfaces of Kaolinite[J]. Acta Phys. -Chim. Sin., 2011,27(01): 59-64
154. CUI Wen-Yu, AN Mao-Zhong, YANG Pei-Xia, ZHANG Jin-Qiu.Cathodic and Thermal Stabilities of the P(VdF-HFP)-Based Ionic Liquid Composite Polymer Electrolyte[J]. Acta Phys. -Chim. Sin., 2011,27(01): 78-84
155. SUN Hao, JIANG Yong-Jun, YU Qing-Sen, GAO Hui.Molecular Dynamics Simulations on the Role of Structural Mg2+ Ions in Phosphoryl Transfer Catalyzed by GSK-3β[J]. Acta Phys. -Chim. Sin., 2011,27(01): 207-212
156. ZHANG Qi-Bo, HUA Yi-Xin.Effect of the Ionic Liquid Additive-[BMIM]HSO4 on the Kinetics of Oxygen Evolution during Zinc Electrowinning[J]. Acta Phys. -Chim. Sin., 2011,27(01): 149-155
157. ZHAO Yan-Chun, ZHAN Lu, TIAN Jian-Niao, NIE Su-Lian, NING Zhen.N-Doped Amorphous Carbon Supported Pd Catalysts for Methanol Electrocatalytic Oxidation[J]. Acta Phys. -Chim. Sin., 2011,27(01): 91-96
158. GAO Hai-Li, LIAO Shi-Jun, ZENG Jian-Huang, LIANG Zhen-Xing, XIE Yi-Chun.Preparation and Characterization of Platinum-Decorated Ru/C Catalyst with High Performance and Superior Poison Tolerance[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3193-3198
159. TIAN Tao, QIAN Wei-Zhong, TANG Xiao-Ping, YUN Song, WEI Fei.Deactivation of Ag/ZSM-5 Catalyst in the Aromatization of Methanol[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3305-3309
160. QIAO Gui-Min, REN Zhen-Jia, ZHANG Jun, HU Song-Qing, YAN You-Guo, TI Yang.Molecular Dynamics Simulation of Corrosive Medium Diffusion in Corrosion Inhibitor Membrane[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3041-3046
161. LIU Hai-Ying, MENG Fan-Cui, LI Ping, DING Shi-Liang.Effects of CH3OH and NH3 on the Hydrolytic Deamination Mechanismof Adenine[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3067-3072
162. ZHANG Li-Qun, LI Hao-Ran.Progress of Investigations on Structures and Interactions of Ionic Liquids by Infrared Spectroscopy and Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2877-2889
163. GONG Chun-Li, ZHOU Yi, YAN Li-Cheng, WEN Sheng, ZHENG Gen-Wen.Properties of SPES/PWA/SiO2 Composite Proton Exchange Membranes[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2967-2974
164. ZHU Su-Hua, YAN Liu-Ming, JI Xiao-Bo, SHAO Chang-Le, LU Wen-Cong.Electroosmotic Drag of Water in Hydrated Potassium Perfluorosulfonated Polymer Membrane in External Electric Fields[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2659-2665
165. LIU Fu-Feng, JI Luo, DONG Xiao-Yan.Effects ofMolecular Volume and Fractional Polar Surface Area of Osmolytes on the Thermal Stability of Chymotrypsin Inhibitor 2[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2813-2820
166. KE Yan-Rong, JIN Hong-Wei, LIU Zhen-Ming, ZHANG Liang-Ren.Homology Modeling and Structure Validation of the Adenosine A1 Receptor[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2833-2839
167. FU Jing, LIN Rui, LüHong, WANG Xiao-Lei, MA Jian-Xin, QIAO Jin-Li.Preparation and Properties of Poly(vinyl alcohol)/Poly(vinyl pyrrolidone) Composites for Solid Alkaline Electrolyte Membranes[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2653-2658
168. YU Xiao-Chun, LIN Ke, HU Nai-Yin, ZHOU Xiao-Guo, LIU Shi-Lin.Effects of Salts on theMicrostructure ofMethanol[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2473-2480
169. PAN Shan-Fei, HU Gui-Xiang, LV Yang, ZOU Jian-Wei, YU Qing-Sen.QSPRModel Analysis on the Solubility of Organic Compounds in Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2494-2502
170. MAO Dong-Sen, GUO Qiang-Sheng, MENG Tao.Effect of Magnesium Oxide Modification on the Catalytic Performance of Nanoscale HZSM-5 Zeolite for the Conversion of Methanol to Propylene[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2242-2248
171. ZHAO Yan-Chun, LAN Huang-Xian, DENG Bin-Bin, TIAN Jian-Niao, YANG Xiu-Lin, WANG Feng-Yang.Electrocatalytic Oxidation of Methanol with Poly Functionalized Multiwalled Carbon Nanotubes Supported Pt Catalysts[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2255-2260
172. XU Qun-Jie, ZHOU Xiao-Jin, LI Qiao-Xia, LI Jin-Guang.Preparation and Electrochemical Properties of Ternary Catalyst PtRuCo/C for Direct Methanol Fuel Cell[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2135-2138
173. ZHAO Rong-Li, LIN Ke, ZHOU Xiao-Guo, LIU Shi-Lin.Solubility of Poly(N-isopropylacrylamide) in Aqueous Methanol from Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1915-1922
174. ZHANG Sheng-Hong, ZHANG Hong-Peng, LI Wei-Zhen, ZHANG Wei, HUANG Hua, LIU Hai-Chao.Effects of Zirconia Crystallite Phases on the Structures of MoOx/ZrO2 Catalysts and Their Properties in the Selective Oxidation of Methanol[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1879-1886
175. CAO Hai, JIANG Jian, ZHU Xue-Feng, DUAN Peng-Fei, LIU Ming-Hua.Interfacial Assembly of Diethyl Ester Glutamic Acid Terminated Bolaamphiphile at the Air/Water Interface: Chiral Interaction and Morphology[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1842-1846
176. LIU Qing-Shan, YANG Miao, TAN Zhi-Cheng, WELZ-BIERMANN Urs.Estimation and Prediction of the Physicochemical Properties of Imidazolium-Based Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1463-1467
177. LIU Fu-Feng, DONG Xiao-Yan, SUN Yan.Molecular Dynamics Simulation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Trehalose[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1643-1650
178. LIANG Rui, YANG Mei-Rong, ZHOU Qing-Xiang.Thermal Stability, Equilibrium Vapor Pressure and Standard Enthalpy of Vaporization of 1-Butyl-3-methylimidazolium Tetrafluoroborate[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1468-1472
179. ZHANG Jun, YU Wei-Zhao, YAN You-Guo, YU Li-Jun, REN Zhen-Jia.Molecular Dynamics Simulation of the Adsorption Behavior of Imidazoline Corrosion Inhibitors on a Fe(001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1385-1390
180. ZHAO Di, HUANG Qing, JIN Xian-Bo, WEI Xian-Jun, CHEN George Z..Capacitance at the Electrode/Ionic Liquid Interface[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1239-1248
181. AN Xiao-Sha, CHEN De-Jun, ZHOU Zhi-You, WANG Qiang, FAN You-Jun, SUN Shi-Gang.Rare Earth Eu Doped PtRu/C Catalysts and Their Properties for Methanol Electrooxidation[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1207-1213
182. LI Xue-Liang, CHEN Jie-Jie, LUO Mei, CHEN Xiang-Ying, LI Pei-Pei.Quantum Chemical Calculation of Hydroxyalkyl Ammonium Functionalized Ionic Liquids for Absorbing SO2[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1364-1372
183. CUI Wen-Yu, AN Mao-Zhong, YANG Pei-Xia.Preparation of an Ionic Liquid Gel Polymer Electrolyte and Its Compatibility with a LiFePO4 Cathode[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1233-1238
184. WANG Wei, LV Rong, YU An-Chi.Low Frequency Spectrumof Ionic Liquid [bmim][PF6] Studied by Femtosecond Optically Heterodyne-Detected Optical Kerr Effect Spectroscopy and Low Frequency Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2010,26(04): 964-970
185. YUAN Li-Yong, PENG Jing, LI Jiu-Qiang, ZHAI Mao-Lin.Radiation-Induced Changes of Phase Behavior and Fluorescence Properties of the Ionic Liquids [C4mim][PF6] and [C4mim][NTf2][J]. Acta Phys. -Chim. Sin., 2010,26(04): 981-987
186. YUAN Xiao, LOU Shu-Jie, KOU Yuan.Ionic Liquid and Water: Making Nanoparticle Catalysis More Efficient and Greener[J]. Acta Phys. -Chim. Sin., 2010,26(04): 908-914
187. LIU Bo-Jie, LI Xue-Yi, CHEN Wei, LIU Ren-Xiao, GE Guang-Lu.Surface Ligand Exchange and Phase Transfer of Iron Oxide Magnetic Nanoparticles[J]. Acta Phys. -Chim. Sin., 2010,26(03): 784-788
188. DING Wei, LIU Guo-Yu, YU Tao, QU Guang-Miao, CHENG Jie-Cheng, WU Jun-Zheng.Molecular Dynamics Simulations and Free Energy Perturbation Calculations of Alkyl Aryl Sulfonate[J]. Acta Phys. -Chim. Sin., 2010,26(03): 727-734
189. WU Yan-Ni, LIAO Shi-Jun.Shortened Carbon Nanotubes as Supports to Prepare High-Performance Pt/SCNT and PtRu/SCNT Catalysts for Fuel Cells[J]. Acta Phys. -Chim. Sin., 2010,26(03): 669-674
190. MAO Dong-Sen, GUO Qiang-Sheng, MENG Tao, LU Guan-Zhong.Effect of Hydrothermal Treatment on the Acidity and Catalytic Performance of Nanosized HZSM-5 Zeolites for the Conversion of Methanol to Propene[J]. Acta Phys. -Chim. Sin., 2010,26(02): 338-344
191. WANG Wei-Bin, YIN Jian-Zhong, SUN Li-Hua, FENG En-Min.Molecular Dynamics Simulation of Thermodynamic Properties for CO2/Ionic Liquid Systems[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2291-2295
192. ZHAO Yan-Chun, LAN Huang-Xian, TIAN Jian-Niao, YANG Xiu-Lin, WANG Feng-Yang.Electrocatalytic Oxidation of Methanol on Pt Nanoparticles Supported on Porous Poly(N-acetylaniline) Nanofibrils[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2050-2054
193. GAO Ting-Hong, LIU Rang-Su, ZHOU Li-Li, TIAN Ze-An, XIE Quan.Formation Properties of Cluster Structures during the Rapid Solidification of Liquid Ca7Mg3 Alloy[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2093-2100
194. WU Yang, ZHANG Tian-Tian, YU Ning.Interaction between 1-Ethyl-3-Methyl-Imidazolium Cation and Asparagine Anion[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1689-1696
195. FU Yi-Zheng, LIU Ya-Qing, LAN Yan-Hua.Molecular Dynamics Simulation on Compatibility of Hydroxyl-Terminated Polybutadiene/Plasticizer Blends[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1267-1272
196. XIA Yan-Jie, ZHOU De-Feng, MENG Jian.Synthesis, Characterization and Electrical Properties of (Ce 0.9Nd0.1)1-xMoxO2-δ(0.00≤x≤0.10)[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1415-1420
197. ZHAO Jian-Wei, LIU Hong-Mei, NI Wen-Bin, GUO Yan, YIN Xing.Electron Transfer Studied at theMolecular Level[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1472-1480
198. SONG Qi-Sheng, GUO Xin-Li, YUAN Shi-Ling, LIU Cheng-Bu.Molecular Dynamics Simulation of Sodium Dodecyl Benzene Sulfonate Aggregation on Silica Surface[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1053-1058
199. ZHAI Cui-Ping, LIU Xue-Jun, ZHAO Yang, WANG Jian-Ji.NMR Study on the Aggregation of [C4mim][BF4] in D2O and CDCl3[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1185-1189
200. NI Zhe-Ming, MAO Jiang-Hong, PAN Guo-Xiang, XU Qian, LI Xiao-Nian.Mechanism of Palladium-Catalyzed Methanol Decomposition for Hydrogen Production[J]. Acta Phys. -Chim. Sin., 2009,25(05): 876-882
201. SUN Hao, JIANG Yong-Jun, YU Qing-Sen, ZOU Jian-Wei.Molecular Dynamics Simulation of Significant Roles of Structural Water Molecules in Glycogen Synthase Kinase-3β[J]. Acta Phys. -Chim. Sin., 2009,25(04): 635-639
202. YANG Hong-Yan, GUO Pan-Pan, LI Wei-Shan.Electrodeposition Preparation and Activity of CO-Resistant Catalyst Pt-HxWO3 for Methanol Oxidation[J]. Acta Phys. -Chim. Sin., 2009,25(04): 719-723
203. CAI Kai-Cong, WANG Jian-Ping.Molecular Dynamical Structures of Glycolaldehyde[J]. Acta Phys. -Chim. Sin., 2009,25(04): 677-683
204. WANG Jian-She, GUO Xun, SONG Cheng-Ying, WANG Liu-Cheng, ZHAO Jian-Hong, QIU Xin-Ping.Promoting Methanol Electro-Oxidation through Fabricating Pore Structure in Pt/CNTs Catalyst Layer by Dissolving Away Premixed La2O3 Particles[J]. Acta Phys. -Chim. Sin., 2009,25(04): 767-772
205. CHEN Xin-Yuan, LV Yang, LI Shen-Min.Molecular Dynamics Simulations on the Stability of (3+1) Mixed-Type Hybrid G-quadruplex in Human Telomere[J]. Acta Phys. -Chim. Sin., 2009,25(04): 783-791
206. CUI Wei, ZHANG Huai, JI Ming-Juan.Molecular Dynamics Simulations and Free Energy Calculations of a Novel Series of Protein Tyrosine Phosphatase 1B Difluoromethylenephosphonic Acid Inhibitors[J]. Acta Phys. -Chim. Sin., 2009,25(04): 668-676
207. ZHAO Yong-Shan, ZHENG Qing-Chuan, ZHANG Hong-Xing, CHU Hui-Ying, SUN Chia-Chung.Homology Modeling of Human Serine Racemase and Its Molecular Docking with Peptide Inhibitors[J]. Acta Phys. -Chim. Sin., 2009,25(03): 417-422
208. CHEN Cong, LI Wei-Zhong.Molecular Dynamics Simulation of Hydrogen Bonding Characteristics in Aqueous Glycerol Solutions[J]. Acta Phys. -Chim. Sin., 2009,25(03): 507-512
209. PAN Guo-Xiang; NI Zhe-Ming; WANG Fang; WANG Jian-Guo; LI Xiao-Nian.Molecular Dynamics Simulation on Structure, Hydrogen-Bond and Hydration Properties of Diflunisal Intercalated Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2009,25(02): 223-228
210. XU Lei; WU Shu-Jie; ZHANG Wen-Xiang; JIA Ming-Jun; LIU Gang.Vapour Phase ortho-Selective Alkylation of Phenol with Methanol over Fe-Zr Oxide Catalysts[J]. Acta Phys. -Chim. Sin., 2009,25(02): 242-246
211. FU Yi-Zheng; LIU Ya-Qing; MEI Lin-Yu; LAN Yan-Hua.Molecular Dynamics Simulation on Binding Energies and Mechanical Properties of HTPB and Different Crystal Faces of Al[J]. Acta Phys. -Chim. Sin., 2009,25(01): 187-190
212. LI Zhen-Quan; GUO Xin-Li; WANG Hong-Yan; LI Qing-Hua; YUAN Shi-Ling; XU Gui-Ying; LIU Cheng-Bu.Molecular Dynamics Simulation of Anionic Surfactant Aggregation at the Oil/Water Interface[J]. Acta Phys. -Chim. Sin., 2009,25(01): 6-12
213. MA Miao-Rui, YANG Li-Juan, LIU Qian, LIU Hui, WEI Yu.Effect of Ferrihydrite Sub-microstructure on Its Reactivity[J]. Acta Phys. -Chim. Sin., 2008,24(12): 2282-2286
214. YAN Chao-Qun, WAN Hui, GUAN Guo-Feng.Prediction of Melting Points for 1,3-Disubstituent Imidazolium Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2008,24(12): 2198-2202
215. WANG Xiao-Lu; WAN Hui; GUAN Guo-Feng.Structure and Interaction of Ion-Pairs of [EPy]Cl and [EPy]Br in Gas and Liquid Phases[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2077-2082
216. CHEN Ying; WANG Xiu-Ying; ZHAO Jun-Qing.Molecular Dynamics Simulation on Melting of Metal Cluster with Small Size[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2042-2046
217. YANG Pei-Xia; AN Mao-Zhong; SU Cai-Na; WANG Fu-Ping.Electrodeposition Behaviors of Pure Cobalt in Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2032-2036
218. LI Lai-Cai; WANG Yi-Wei; TIAN An-Min.Adsorption of Methanol on the Pt-Mo(111)/C Surface[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2013-2018
219. ZHENG Yong-Jun; ELI Wumanjiang.Phase Behavior of Tween80/BmimPF6/Alcohol/Toluene Systems[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2143-2148
220. HU Jian-Ping; KE Guo-Tao; CHANG Shan; CHEN Wei-Zu; WANG Cun-Xin.Conformational Change of HIV-1 Viral DNA after Binding with Integrase[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1803-1810
221. CHANG Xiao-Tu, WANG Jian-Ming, SHAO Hai-Bo, WANG Jun-Bo, ZENG Xiao-Xu, ZHANG Jian-Qing, CAO Chu-Nan.Corrosion and Anodic Behaviors of Pure Aluminumin a Novel Alkaline Electrolyte[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1620-1624
222. ZHENG Bo; LI He-Xian; WANG Guo-Chang; LIU Kun; YUAN Wei; LI He; LIANG Bo.Supramolecular Complexation in Water-Methanol Mixtures[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1503-1506
223. ZHANG Xu-Zhi; JIAO Kui.Single-Walled Carbon Nanotubes and RoomTemperature Ionic Liquid Composite Film Modified Electrode[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1439-1444
224. SHEN Qiu-Chan; LIANG Wan-Chun; HU Xing-Bang; LI Hao-Ran.Molecular Dynamics Simulation for Formamide Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1169-1174
225. ZHANG Jun; ZHAO Wei-Min; GUO Wen-Yue; WANG Yong; LI Zhong-Pu.Theoretical Evaluation of Corrosion Inhibition Performance of Benzimidazole Corrosion Inhibitors[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1239-1244
226. GAO Li-Xia; WANG Li-Na; QI Tao; LI Yu-Ping; CHU Jing-Long; QU Jing-Kui.Electrodeposition of Aluminium from AlCl3/Et3NHCl Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2008,24(06): 939-944
227. YANG Hai-Bo; HU Ming; LIANG Ji-Ran; ZHANG Xu-Rui; LIU Zhi-Gang.Microstructure, Nano-Mechanical and Temperature Sensitive Properties of VOx/Porous Silicon/Si Structure[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1017-1022
228. CUI Bao-Qiu; GONG Li-Dong; ZHAO Dong-Xia.Molecular Dynamics Simulation of Microperoxidase in Aqueous Solution in Terms of the ABEEM/MM Method[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1035-1040
229. ZHENG Gen-Wen; GONG Chun-Li; WEN Sheng; XIE Xiao-Lin.Preparation and Performances of Sulfonated Poly(ether imide) and Poly (ether sulfone) Blends for Proton Exchange Membrane[J]. Acta Phys. -Chim. Sin., 2008,24(05): 855-860
230. LI Wei; RONG Hua; WU Xin-Min; CHEN Zhong-Yuan.Microwave Synthesis, Characterization and Theoretical Study of para-Toluenesulfonic Acid Threonine Salt and Its Ester Derivatives[J]. Acta Phys. -Chim. Sin., 2008,24(05): 868-872
231. ZHANG Rong; TAN Zai-You; ZHENG Dun-Sheng; LUO San-Lai; LI Hao-Ran.Molecular Dynamics Simulations on the Special System of TFE Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2008,24(03): 428-432
232. LIN Yan; LIU Rang-Su; TIAN Ze-An; HOU Zhao-Yang; ZHOU Li-Li; YU Ya-Bin.Effect of Cooling Rates on Microstructures during Solidification Process of Liquid Metal Zn[J]. Acta Phys. -Chim. Sin., 2008,24(02): 250-256
233. LIANG Ying; LIAO Dai-Wei.Effects of pH on the PtRu/C Catalyst Prepared by Microwave-assisted Ethylene Glycol Process[J]. Acta Phys. -Chim. Sin., 2008,24(02): 317-322
234. SUN Guo-Hua; LI Kai-Xi; FAN Hui; GU Jian-Yu; LI Qiang; LIU Yue.Eelectrochemical Performance of Capacitors Using [BMIm]BF4/Fc as Electrolyte[J]. Acta Phys. -Chim. Sin., 2008,24(01): 103-108
235. LEI Sheng; ZHANG Jing; HUANG Jian-Bin.Promotion of the Surface Activity and Aggregation Ability of Sodium Dodecylsulfate in Aqueous Solution by Ionic Liquid 1-butyl-3-methyl-imidazolium Tetrafluoroborate[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1657-1661
236. MA Chun-An; WANG Xiao-Juan; LI Guo-Hua; LI Mei-Chao; CHEN Song.Electroreduction Characteristics of Nitromethane in Ionic Liquid BMImBF4[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1719-1722
237. WANG Jin-Bo; MING Fang-Yong; JIANG Wei-Dong; FAN Guang-Yin; LIU De-Rong; CHEN Hua; LI Xian-Jun.Asymmetric Hydrogenation of Acetophenone and Its Derivatives Catalyzed by Ruthenium Nanoparticles in Ionic Liquid Media[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1381-1386
238. SUN Wei; GAO Rui-Fang; WANG Dan-Dan; JIAO Kui.Direct Electrochemistry of Hemoglobin at Room Temperature Ionic Liquid [BMIM]PF6 Modified Carbon Paste Electrode[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1247-1251
239. DENG Hui-Ning; WANG Yu-Xin.Preparation and Properties of Proton Conducting Composite Membranes from Sulfonated Poly(phthalazinone ether keton) and Phosphotungstic Acid[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1235-1240
240. ZHOU Guo-Rong; LI Bei-Qi; GENG Hao-Ran; TENG Xin-Ying; CHEN Guang-Li.Freezing Process of Al Nanowires by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2007,23(07): 1071-1074
241. YAN Zhi-Ying; WU Li-Yan; SUN Gui-Xiang; ZHANG Ning; ZHENG Wen-Jun.Structural Characterization of Nanocrystalline TiO2 fromIonic Liquid-Water Solvent Mixture and Its Photocatalytic Activity[J]. Acta Phys. -Chim. Sin., 2007,23(07): 1032-1036
242. LI Shu; LIU Lei; CAO Zhen; WANG Ji-Qiang; YAN Tian-Ying.Molecular Dynamics Simulation on a Eutectic Systemof LiTFSI/Urea[J]. Acta Phys. -Chim. Sin., 2007,23(07): 983-986
243. XU Hui-Yuan; CHU Wei; CI Zhi-Min.Effect of Glow Discharge Plasma on Copper-based Catalysts for Methanol Synthesis[J]. Acta Phys. -Chim. Sin., 2007,23(07): 1042-1046
244. ZHENG Hai-Tao; LI Yong-Liang; LIANG Jian-Ying; SHEN Pei-Kang.Methanol Oxidation on Pd-based Electrocatalysts[J]. Acta Phys. -Chim. Sin., 2007,23(07): 993-996
245. YAN Zong-Cheng; CHEN Li; WANG Hong-Lin.Glow Discharge Plasma Electrolysis of Methanol Solutions[J]. Acta Phys. -Chim. Sin., 2007,23(06): 835-840
246. CHENG Jiang-Wei; ZHANG Xian-Ming; WU Yong-Quan; WANG Xiu-Li; ZHENG Shao-Bo; JIANG Guo-Chang.MD Simulation of α-Fe and γ-Fe with Long-Range F-S Potential[J]. Acta Phys. -Chim. Sin., 2007,23(05): 779-785
247. LI Lan-Lan; WEI Zi-Dong; YAN Can; LUO Yi-Hui; YIN Guang-Zhi; SUN Cai-Xin.Methanol Oxidation on a Pt ElectrodeModified by Underpotential Deposition of Ru[J]. Acta Phys. -Chim. Sin., 2007,23(05): 723-727
248. ZHAO Wen-Xia; HU Man-Cheng; LI Shu-Ni; JIANG Yu-Cheng; ZHANG Xiao-Lei; HU Lei; CHEN Huai-Jun.The Solubility of Ternary SystemRbBr/CsBr-CH3OH/C2H5OH-H2O at Different Temperatures[J]. Acta Phys. -Chim. Sin., 2007,23(05): 695-700
249. WU Wei; CAO Jie-Ming; CHEN Yu; LU Tian-Hong.Preparation of High-alloying Pt-Ru/CMK-3 Catalysts in THF-H2O-EtOH Ternary Solution System[J]. Acta Phys. -Chim. Sin., 2007,23(04): 559-564
250. MA Chun-An; CHEN Song; CHU You-Qun; MAO Xin-Biao.Electrochemical Reduction of Nitrobenzene in Ionic Liquid BMimBF4-H2O[J]. Acta Phys. -Chim. Sin., 2007,23(04): 575-580
251. PENG Chuan-Xiao; WANG Li; ZHANG Yan-Ning.Amorphization of Ni Nanowires Induced by Strain Rate[J]. Acta Phys. -Chim. Sin., 2007,23(04): 517-520
252. ZHANG Cheng-Gen;LI Wen-Zuo;HUANG Ming-Bao.Reaction of Methyl Alcohol with Thionyl Chloride in Solution[J]. Acta Phys. -Chim. Sin., 2007,23(03): 399-403
253. ZHANG Shu-Dong;ZHU Xiang-Jun;WANG Yan;KONG Xiang-He.Multiphoton Ionization Mass Spectrum of Methanol Clusters and Ab Initio Calculations[J]. Acta Phys. -Chim. Sin., 2007,23(03): 379-383
254. DENG Hui-Ning;WANG Yu-Xin .Sulfonated Poly(phthalazinones) Membranes For Direct Methanol Fuel Cell[J]. Acta Phys. -Chim. Sin., 2007,23(02): 187-191
255. HUANG Mian-Yan;CHEN Hua-Yan;GUO Jian-Zhao;WANG Zhi-Tao;XU Li;WANG Yu-Xin.Methanol Resistant Poly(Ether Sulfone)/Sulfonated Poly(Ether Ether Ketone) Blend Proton Exchange Membrane for DMFC[J]. Acta Phys. -Chim. Sin., 2007,23(01): 44-49
256. SHEN Pei-Kang;WANG Sheng-Long;HU Zhi-Yi;LI Yong-Liang;ZENG Rong;HUANG Yue-Qiang.Hydrogen Production by Alcohol Electrolysis[J]. Acta Phys. -Chim. Sin., 2007,23(01): 107-110
257. LIN Qi;FU Hai-Yan;YUAN Mao-Lin;CHEN Hua;LI Xian-Jun.Carbonylation of Aryl Halide Catalyzed by Active-carbon Supported Ionic Liquid-phase Palladium Catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1272-1276
258. ZHOU Zhen;YAN Tian-Ying;GAO Xue-Ping.Simulation and Design for Energy Storage Materials[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1168-1174
259. HOU Huai-Yu;CHEN Guo-Liang;CHEN Guang.Molecular Dynamics Simulation of the Structure Transformation before and after Ni Melting[J]. Acta Phys. -Chim. Sin., 2006,22(07): 771-776
260. LI Xue-Hui;JIANG Yan-Bin;ZHANG Lei;LI Rong.Synthesis and Characterization of N-ester Appended Pyridine Task-specific Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2006,22(06): 747-751
261. Ding Yun-Sheng;Wang Seng-Shan;Zha Min;Wang Zhi-Gang.Adsorption and Aggregative Structures of an Organic Cation [C18mim] of the Ionic Liquid in the Interlayer of Montmorillonite[J]. Acta Phys. -Chim. Sin., 2006,22(05): 548-551
262. ZHANG Xue-Hong;TANG Xing-Hua;CHENG Xin-Sun.Synthesis and Application of Ce-doped Mesoporous TiO2[J]. Acta Phys. -Chim. Sin., 2006,22(05): 532-537
263. LIN Qi;FU Hai-Yan;XUE Fang;YUAN Mao-Lin;CHEN Hua;LI Xian-Jun.Hydroformylation of Long-chain Olefins Catalyzed by Rhodium-Phosphine Complexes in New Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2006,22(04): 465-469
264. ZHAI Cui-Ping;WANG Jian-Ji;XUAN Xiao-Peng;WANG Han-Qing.NMR Study on the Interactions of Ionic Liquid with Acetone[J]. Acta Phys. -Chim. Sin., 2006,22(04): 456-459
265. LI Xue-Hui;ZHANG Lei;WANG Le-Fu;TANG Ying-Biao.Characterization of N-carboxyl Appended Pyridine Task-Specific Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2006,22(04): 430-435
266. CHEN Ling; WANG Xin-dong; GUO Min.The Effect of NdOx as Co-catalyst for the Electro-oxidation of Methanol on PtRu/C[J]. Acta Phys. -Chim. Sin., 2006,22(02): 141-145
267. GENG Wei-guo; LI Xue-hui; WANG Le-fu; DUAN Hong-li; PAN Wei-ping.Acidic Characterization of Polycarboxyl Imidazolium Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2006,22(02): 230-233
268. TONG Jing; ZHANG Qing-guo; HONG Mei; YANG Jia-zhen.Thermodynamic Properties of Ionic Liquid BMIAlCl4[J]. Acta Phys. -Chim. Sin., 2006,22(01): 71-75
269. CHEN Yu; TANG Ya-wen; Kong Ling-yong; LIU Chang-peng; XING Wei; LU Tianhong.Effect of Surface Modification Extent of Carbon Nanotubes on Electrocatalytic Performance of Carbon Nanotubes Supported Pt catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(01): 119-123
270. LIU Chun-li; LI Chun-hua; CHEN Wei-zu; WANG Cun-xin.Study on Interaction between HIV-1 Integrase and Its Dicaffeoyl Inhibitors through Molecular Modeling Approach[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1229-1234
271. WU Xiao-ping; LIU Zhi-ping; WANG Wen-chuan.Molecular Dynamics Simulation of Gas Solubility in Room Temperature Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1138-1142
272. WANG Zhen-bo; YIN Ge-ping; SHI Peng-fei.The Influence of Three Groups of Pt-Ru/C Catalyst’s Precursors on Its Performance for Direct Methanol Fuel Cell[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1156-1160
273. WU Xiao-ping; LIU Zhi-ping.Computer Simulation Study of the Mixtures of Room Temperature Ionic Liquid [bmim][BF4] and Water[J]. Acta Phys. -Chim. Sin., 2005,21(09): 1036-1041
274. FANG Mei-juan; LUO Shu-na; WANG He-qing; LIU Wan-yun; ZHAO Yu-fen.The Effect of Phosphoryl Oxygen on the Intermolecular Action of Alanine and Lysozyme[J]. Acta Phys. -Chim. Sin., 2005,21(09): 1042-1045
275. PAN Xu; DAI Song-yuan; WANG Kong-jia; SHI Cheng-wu; GUO Li.Development and Application of Electrolyte based on Ionic Liquid in Dye-sensitized Solar Cells[J]. Acta Phys. -Chim. Sin., 2005,21(06): 697-702
276. CAO Jie-ming; WANG Jun; FANG Bao-qing; ZHENG Ming-bo; LU Hong-xia; CHANG Xin; WANG Hai-yan.Synthesis and Characterization of ZnO Nanomaterials with Different Morphologies in Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2005,21(06): 668-672
277. ZHANG Wen-yu; DONG Qing-nian; ZHAO Ning; WEI Wei; SUN Yu-han.The Reaction Mechanism for the Synthesis of 1-methoxy-2-propanol on MgO Catalyst[J]. Acta Phys. -Chim. Sin., 2005,21(06): 653-657
278. WANG Yong; LI Hao-Ran; WU Tao; WANG Cong-Min; HAN Shi-Jun.Reaction Mechanism Study for the Synthesis of Alkylimidazolium-based Halide Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2005,21(05): 517-522
279. WANG Xiao-Hua; TAO Guo-Hong; WU Xiao-Mu; KOU Yuan.Investigation of the Acidity of Ionic Liquids by IR Spectroscopy[J]. Acta Phys. -Chim. Sin., 2005,21(05): 528-533
280. ZHANG Ai-Long; LIU Rang-Su; LIANG Jia; ZHENG Cai-Xing.A Simulation Study for Effects of Cooling Rate on Evolution of Microstructures during Solidification Process of Liquid Metal Ni[J]. Acta Phys. -Chim. Sin., 2005,21(04): 347-353
281. CHEN Yu; TANG Ya-Wen; LIU Chang-Peng; XING Wei; LU Tian-Hong.Research Progress on Proton Exchange Membranes for Direct Methanol Fuel Cell[J]. Acta Phys. -Chim. Sin., 2005,21(04): 458-462
282. PU Min; CHEN Biao-Hua; LI Hui-Ying; LIU Kun-Hui.DFT Studies on Reaction Mechanism of the Double Bond Isomerization of Butene Catalyzed by 1-ethyl-3-methyl-imidazolium of the Ionic Liquid (II)[J]. Acta Phys. -Chim. Sin., 2005,21(04): 383-387
283. JIA Yu-Xiang; GUO Xiang-Yun.Monte Carlo Simulation of Adsorption Process of CO and H2 in Supercritical Fluids[J]. Acta Phys. -Chim. Sin., 2005,21(03): 306-309
284. ZHANG Tao;GU Ting-Kun;QI Yuan-Hua.Evolvement on the Microstructure of Molten Compound AuCu3 in Rapid Cooling[J]. Acta Phys. -Chim. Sin., 2005,21(02): 173-176
285. LIU Ying-Chun;WANG Qi;LÜ Ling-Hong;ZHANG Lian-Zhong.Structural and Diffusion Properties of Water in Hydrophobic Micropores by Molecular Simulation[J]. Acta Phys. -Chim. Sin., 2005,21(01): 63-68
286. Li Xue-Hui; Zhang Lei; Li Qiong; Geng Wei-Guo; Ye Yu-Jia; Wang Le-Fu.TGA-FTIR Study of 1-n-butyl-3-methylimidazolium Bromide Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1465-1468
287. Zhang Zhi-Heng; Guan Wei; Yang Jia-Zhen; Tan Zhi-Cheng; Sun Li-Xian.The Standard Molar Enthalpy of Formation of Room Temperature Ionic Liquid EMIES[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1469-1471
288. Deng Hui-Ning;Li Lei;Xu Li;Wang Yu-Xin.Comparison on Properties of Membranes for Direct Methanol Fuel Cell[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1372-1375
289. Piao Ling-Yu;Han Yang;Kou Yuan.The Reuse of Acidic Ionic Liquids as Catalysts in Diphenyl Oxide Alkylation with Dodecene[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1083-1088
290. Pu Min;Liu Kun-Hui;Li Hui-Ying;Chen Biao-Hua.DFT Studies on Reaction Mechanism of the Double Bond Isomerization of Butene Catalyzed by 1-ethyl-3-methyl-lmidazolium of the Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2004,20(08): 826-830
291. Hu Ji-Ming;Zhang Jian-Qing;Zhang Jin-Tao;Cao Chu-Nan.Electrochemical Activities of IrO2 Electrodes in Small Organic Molecules Containing Aqueous Solutions[J]. Acta Phys. -Chim. Sin., 2004,20(07): 740-744
292. Yun Hong;Chen Jian-Hua;Zhang Hui;Lin Jing-Dong;Chen Hong-Bo;Lin Chang-Jian.The Effects of ZrO2 on Cu-ZnO-ZrO2 Catalysts for Hydrogen Generation by Steam Reforming of Methanol[J]. Acta Phys. -Chim. Sin., 2004,20(05): 550-553
293. Zhang Sheng-Mao;Zhang Chun-Li;Zhang Jing-Wei;Zhang Zhi-Jun;Dang Hong-Xin;Wu Zhi-Shen;Liu Wei-Min.Preparation of Silver Nanoparticles in Room Temperature Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2004,20(05): 554-556
294. Yun Hong;Zhang Hui;Chen Jian-Hua;Chen Hong-Bo;Lin Chang-Jian.The Intermediate State and Mechanism of the Steam Reforming of Methanol over CuO-ZnO-ZrO2 Catalysts[J]. Acta Phys. -Chim. Sin., 2004,20(05): 524-528
295. Peng Cheng;Cheng Xuan;Zhang Ying;Chen Ling;Fan Qing-Bai.Comparison of Methanol Electrooxidation on Carbon Supported Pt and PtRu Catalysts[J]. Acta Phys. -Chim. Sin., 2004,20(04): 436-439
296. Liu Xin;Meng Chang-Gong;Liu Chang-Hou.Melting and Superheating of Ag at High Heating Rate[J]. Acta Phys. -Chim. Sin., 2004,20(03): 280-284
297. Shao Jun;Xu Hua;Lu Wen-Cong;Chen Nian-Yi.Transport Property Anomalies under High Pressure in Molten Na2O-SiO2 Binary System Studied by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2004,20(03): 237-239
298. Yin Kai-Liang;Xu Duan-Jun;Xia Qing;Ye Ya-Jing;Wu Guo-Ying;Chen Cheng-Lung.Molecular Dynamics Simulation on Solidification Process of n-hexadecane Systems[J]. Acta Phys. -Chim. Sin., 2004,20(03): 302-305
299. Zhou Hai-Hui;Jiao Shu-Qiang;Chen Jin-Hua;Wei Wan-Zhi;Kuang Ya-Fei.Electrocatalytic Oxidation of Methanol on Nano-fibular Polyaniline Electrode Modified with Pt Microparticles[J]. Acta Phys. -Chim. Sin., 2004,20(01): 9-14
300. Qin Xu-Bo;Zhang Yan-Ning;Lu Jian-Lin.The Ability of Glass Formation Dominated by the Mismatch in Atomic Size[J]. Acta Phys. -Chim. Sin., 2003,19(12): 1163-1166
301. Zhang Tao;Zhang Xiao-Ru;Wu Ai-Ling;Guan Li;Xu Chang-Ye.Molecular Dynamics Simulations of the Heating and Melting Processes of Metal Cu[J]. Acta Phys. -Chim. Sin., 2003,19(08): 709-713
302. Liu Xin;Meng Chang-Gong;Liu Chang-Hou.Heating Rate Induced Melting and Superheating of Pb[J]. Acta Phys. -Chim. Sin., 2003,19(08): 681-685
303. Chen Wei;Sun Shi-Gang;Si Di;Chen Sheng-Pei.Electrocatalytic Properties of Agglomerates of Pt Nanoparticles in Methanol Oxidation[J]. Acta Phys. -Chim. Sin., 2003,19(05): 441-444
304. Li Xu-Guang;Han Fei;Xing Wei;Tang Ya-Wen;Lu Tian-Hong.Influence of Methanol on the Kinetics of Oxygen Reduction on Pt/C and CoPcTc/C[J]. Acta Phys. -Chim. Sin., 2003,19(04): 380-384
305. Zhang Yan-Ning;Wang Li;Bian Xiu-Fang.Melting of Au Nanoclusters by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2003,19(01): 35-39
306. Wang Jin;Chen Hong-Bo;Yun Hong;Lin Jing-Dong;Yi Jun;Zhang Hong-Bin;Liao Dai-Wei.Study on Rh-ZnO/MWNTs Catalyst for Methanol Synthesis[J]. Acta Phys. -Chim. Sin., 2003,19(01): 65-69
307. Zhang Xin-Rong;Shi Peng-Fei.Catalytic Production of Hydrogen from Steam Reforming of Methanol on CeO2 Promoted Cu/Al2O3 Catalysts[J]. Acta Phys. -Chim. Sin., 2003,19(01): 85-89
308. Zhou Guo-Rong;Wu You-Shi;Zhang Chuan-Jiang;Zhao Fang.Molecular Dynamics Simulations of the Effect of Icosahedral Quasicrystal on the Formation of Amorphous[J]. Acta Phys. -Chim. Sin., 2003,19(01): 13-16
309. Chen Song-Zhe;Zhong Shun-He.The Photo Stimulated Surface Reaction of Synthesis of Methanol from Carbon Dioxide and Water on Cu/TiO2-NiO[J]. Acta Phys. -Chim. Sin., 2002,18(12): 1099-1103
310. Wei Zi-Dong;Miki Atsushi;Ohmori Tadayoshi;Osawa Masatoshi.Methanol Electroxidation on Upd - Sn Modified Platinum Electrodes[J]. Acta Phys. -Chim. Sin., 2002,18(12): 1120-1124
311. Guo Xia;Xu Hui;Guo Rong.The Fluorescence Quenching of Anthracene by Phenothiazine in Sodium Dodecyl Sulfate / Benzyl Alcohol / Water Microemulsion[J]. Acta Phys. -Chim. Sin., 2002,18(06): 500-503
312. Wang Li;Yi Su;Bian XiuFang.Atom Clusters in Liquid and Amorphous of Ni3Al Alloy[J]. Acta Phys. -Chim. Sin., 2002,18(04): 297-301
313. Zhou Jian;Zhu Yu;Wang Wen-Chuan;Lu Xiao-Hua;Wang Yan-Ru;Shi Jun.Molecular Dynamics Study of Supercritical Aqueous Sodium Chloride Solutions[J]. Acta Phys. -Chim. Sin., 2002,18(03): 207-212
314. Yang Cheng;Dong Qing-Nian;Zhang Jing;Ren Jie;Sun Yu-Han;Xie Ya-Ning;Hu Tian-Dou.The Structural Effect of CeO2 and La2O3 Modified Pd/γ-Al2O3 Catalysts[J]. Acta Phys. -Chim. Sin., 2002,18(02): 170-174
315. Xu Hua;Shao Jun.Molecular Dynamics Simulation of Fast Li Conduction in Fluoroborate Glasses[J]. Acta Phys. -Chim. Sin., 2002,18(01): 10-13
316. Xi Jing-Yu;Wang Zhi-Fei;Wang Wei-Ping;Lü Gong-Xuan.In-situ XPS Study for Reaction Mechanism of Methanol Decomposition over Cu-Ni/Zn Catalyst[J]. Acta Phys. -Chim. Sin., 2002,18(01): 82-86
317. Cong Hong-Ri;Bian Xiu-Fang;Li Hui;Wang Li.Mediumrange Order Structure in Liquid Al80Fe20Alloy[J]. Acta Phys. -Chim. Sin., 2002,18(01): 39-44
318. Liu Han-Xing;Zhou Zheng-Ping;Zhao Shi-Xi;Hao Hua;Ouyang Shi-Xi.Chemical Synthesis in Microwave Field of Electrode Materials Li-Mn-O System[J]. Acta Phys. -Chim. Sin., 2001,17(08): 702-707
319. Xi Jing-Yu;Lv Gong-Xuan;Wang Zhi-Fei.Partial Oxidation of Methanol to Hydrogen over Cu/Zn and Cu/Zn/Ni Catalysts[J]. Acta Phys. -Chim. Sin., 2001,17(07): 655-658
320. Li Han-Sheng;Zhong Shun-He;Wang Jian-Wei;Xiao Xiu-Fen.Effect of K2O on Properties of Cu-Ni/V2O5-SiO2 Catalyst for the Synthesis of Dimethyl Carbonate[J]. Acta Phys. -Chim. Sin., 2001,17(06): 552-554
321. Li Peng;An Xue-Qin;Shen Wei-Guo.Density, Turbidity and Microscopic Structure of AOT/H2O/oil Microemulsions[J]. Acta Phys. -Chim. Sin., 2001,17(02): 144-149
322. Wang Li, Bian Xiu-Fang, Li Hui.Liquid-Solid Transition and Crystal Growth of Metal Cu by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2000,16(09): 825-829
323. Zhong Shun-He, Gao Feng, Ye Xiu-Qiang, Xiao Xiu-Fen.Study on Laser Stimulated Surface Reaction of Methanol Oxidative Coupling[J]. Acta Phys. -Chim. Sin., 2000,16(07): 601-607
324. Xu Hua, Shao Jun.Molecular Dynamics Simulation of the Phase Transition of α-berlinite under High Pressure[J]. Acta Phys. -Chim. Sin., 2000,16(06): 512-516
325. Zhong Shun-He, Li Han-Sehng, Wang Jian-Wei, Xiao Xiu-Fen.Cu-Ni/V2O5-SiO2 Catalyst for the Direct Synthesis of Dimethyl Carbonate from Carbon Dioxide and Methanol[J]. Acta Phys. -Chim. Sin., 2000,16(03): 226-231
326. Ji Ming-Juan, Ye Xue-Qi, Yang Peng-Cheng.Molecular Dynamics Simulations for Met-enkephalin[J]. Acta Phys. -Chim. Sin., 1999,15(11): 1011-1016
327. Zhang Xiao-Gang, Li Yong-Wang, Zhong Bing, Peng Shao-Yi.Molecular Simulation in Hydrogen,Carbon Monoxide,Methanol and Hexane System[J]. Acta Phys. -Chim. Sin., 1999,15(11): 1036-1040
328. Deng Guo-Yang, Jes Henningsen.Quantitative Measurement of Adsorption of CH3OH on Commonly Used Mterials by Photoacoustic Method[J]. Acta Phys. -Chim. Sin., 1999,15(08): 764-768
329. Zhang Rong, Sun Yu-Han, Peng Shao-Yi.Effect of Surface Properties on the Catalytic Performance of Cu/SiO2 Catalysts[J]. Acta Phys. -Chim. Sin., 1999,15(07): 652-656
330. Wu Gui-Sheng, Ren Jie, Sun Yu-Han.The Effect of Calcination Temperature on The Performance of Cu/ZrO2 and Cu-La2O3/ZrO2[J]. Acta Phys. -Chim. Sin., 1999,15(06): 564-567
331. Li Hui, Bian Xiu-Fang, Li Yu-Chen, Liu Hong-Bo, Chen Kui-Ying.The Molecular Dynamics Simulation of Liquid Noble Metal Au[J]. Acta Phys. -Chim. Sin., 1998,14(07): 630-634
332. Chen Hong-Bo, Yu La-Jia, Liao Dai-Wei, Lin Guo-Dong, Zhang Hong-Bin, Cai Qi-Rui.The Effect of Cr2O3 over Copper-based Catalysts for Methanol Synthesis[J]. Acta Phys. -Chim. Sin., 1998,14(06): 534-539
333. Wang Gui-Chang, Sun Yu-Han, Zhong Bing.Simulation to the Structure Sensitive of Cu Based catalyst for Methanol Synthesis[J]. Acta Phys. -Chim. Sin., 1998,14(04): 337-342
334. Li Ji-Tao, Zhang Wei-De, Qu Ze-Tang.Effect of CO on Methanol Synthesis from CO2 Hydrogenation[J]. Acta Phys. -Chim. Sin., 1998,14(03): 275-277
335. Zhong Chong-Min, Wang-De-Zheng, Takashi Ushikubo, Keisuke Wada.The Adsorption of Methanol,Water and Ethylene on a Niobium Oxide Thin Film[J]. Acta Phys. -Chim. Sin., 1998,14(03): 219-225
336. Zhang Xiao-Gang,Guo Xiang-Yun,Zhong Bing,Peng Shao-Yi.Monte Carlo Study of Methanol Clusters in Supercritical Cyclohexane System[J]. Acta Phys. -Chim. Sin., 1997,13(10): 898-903
337. Zhu Xiao-Lei,Zhou Zhi-Hua,Lu Wen-Qing,Huang Jin-Fan,Peng Pan-Ying.A Possible New Solid Phase Observed from Molecular Dynamics Study of CBr4[J]. Acta Phys. -Chim. Sin., 1997,13(09): 815-821
338. Li Ji-Tao,Gao Li-Zhen,Zhang Wei-De.CO Adsorption and Hydrogenation on Crystalline YBa2Cu3Ox Thin Films[J]. Acta Phys. -Chim. Sin., 1997,13(08): 700-705
339. Yang Hui,Li Chang-Zhi,Lu Tian-Hong,Xue Kuan-Hong,Sun Shi-Gang,Lu Guo-Qiang,Chen.Electrocatalytic Oxidation of Methanol on Polythionine Film Modified with Pt Microparticles[J]. Acta Phys. -Chim. Sin., 1997,13(06): 542-547
340. Lei Yu,Cheng Zhao-Nian,Tang Ding-Yuan.A Study of Structure in β-BAB2O4 Melt by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 1996,12(06): 481-484
341. Zhang Suo-Jiang,Han Shi-Jun,Jin Yin-Dong.Molar Conductances of NaCl and KCl in Aqueous Methanol Mixtures at 298.15K[J]. Acta Phys. -Chim. Sin., 1996,12(01): 75-80
342. Cheng Zhao-Nian,Ding Hong,Lei Yu,Xu Li.A Study of Molecular Dynamics Simulation for Rubidium Chloride Melting[J]. Acta Phys. -Chim. Sin., 1995,11(10): 890-895
343. Liu Rang-Su,Zhou Qun-Yi,Li Ji-Yong.A Molecular Dynamics Simulartion Study on the Structural Transitions in Liquid Metals[J]. Acta Phys. -Chim. Sin., 1995,11(08): 755-757
344. Gu Jian-De,Tian An-Min,Yan Guo-Sen.Molecular Dynamics Simulations for the Spectra of N2 and O2 Aqueous Solutions[J]. Acta Phys. -Chim. Sin., 1995,11(08): 719-723
345. Li Qing-Shui, Lin Yu-Qin, Liao Yuan-Yan.Studies on Catalytic Dehydrogenation of Methanol to Formaldehyde[J]. Acta Phys. -Chim. Sin., 1995,11(05): 442-446
346. Huang Shi-Ping, Liu Hong-Lin, Ma Yan-Hui, Tang Bo, Chen Nian-Yi.Molecular Dynamics Simulation of ZnCl2 Melts[J]. Acta Phys. -Chim. Sin., 1995,11(01): 71-73
347. Huang Shi-Ping, Ma Yan-Hui, Tang Bo, Xu Hua, Chen Nian-Yi.Molecular Dynamics Study of NaCl-NaBr Melt[J]. Acta Phys. -Chim. Sin., 1994,10(11): 1045-1048
348. Cheng Zhao-Nian, Jia Zheng-Ming, Xu Li, Chen Nian-Yi.Molecular Dynamics Simulations of Molten Salt Solutions NaCaF3, Na2CaF4 and Na3CaF5[J]. Acta Phys. -Chim. Sin., 1994,10(08): 676-679
349. Zhang Ya-Ming, Wang Yan-Ru, Shi Jun.Enthalpies of Dilution of Calcium Chloride in Aqueous Solution of Alcohols[J]. Acta Phys. -Chim. Sin., 1994,10(06): 555-559
350. Cheng Zhao-Nian; Jia Zheng-Ming; Zhang Jing; Chen Nian-Yi.Radial Distribution Functions of Molten CaF2[J]. Acta Phys. -Chim. Sin., 1993,9(04): 438-441
351. Wang Yi-Xuan; Zhao Jian-Ping; Dai Ming.Vapor-Liquid Equilibrium for Some Polar Aprotic Solvents with Methanol or 1,2-Dichloroethane[J]. Acta Phys. -Chim. Sin., 1992,8(05): 636-641
352. Zhou Zhi-Hua; Hu Wei-Dong; Lu Wen-Qing; Zhou Yi-Ming; Xue Kuan-Hong.Effect of Supporting Electrolyte on the Electrochemical Oxidation Pathways of Anhydrous Methanol at Gold Electrode[J]. Acta Phys. -Chim. Sin., 1992,8(05): 707-711
353. Shao Jun; Tang Zheng-Quan.A Computer Simulation on Local Structure in LiCl Quenching Process——The Computation of the Voronoi Polyhedron for the Simuiation Unit Cell Extended with Periodic Boundary Condition[J]. Acta Phys. -Chim. Sin., 1991,7(05): 571-576
354. Cheng Zhao-Nian; Zhang Jing; Jia Zheng-Ming; Chen Nian-Yi.Ca2+ Sublattice and F- Sublattice in Superionic Conductor CaF2[J]. Acta Phys. -Chim. Sin., 1991,7(04): 390-393
355. Su Wen-Duan; Zhou Shao-Min; Zhou Xiao-Lin.Statistical Mechanical Treatment of Adsorbed Monolayer at Electrode/Solution Interface III. The Structure of Inner Layer Formed at the Interface of Hg/(H2O+CH3OH) Solution[J]. Acta Phys. -Chim. Sin., 1991,7(04): 443-448
356. SHEN Hong-Chen, DING Ji-Yong, LI Li, LIU Fu-Feng.Effect of Y220C Mutant on the Conformational Transition of p53C Probed by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
357. ZHAO Zong-Yan, TIAN Fan.Theoretical Study on Interfacial Structure and Properties of CdS/FeP Composite Photocatalyst[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
358. ZHENG Ling, PAN Yi, JI Hong-Xiang, MA Xiao-Xue, XING Nan-Nan, GUAN Wei.Study on the Walden Product for Ionic Liquids by Using a New Theory—Ion Exchange Transition Model and Experiments[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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