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An ionic fragments contribution-COSMO method to predict the surface charge density profiles of ionic liquids 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 282, 页码: 292-302
Authors:  Tu, Wenhui;  Bai, Lu;  Zeng, Shaojuan;  Gao, Hongshuai;  Zhang, Suojiang;  Zhang, Xiangping
Favorite  |  View/Download:15/0  |  Submit date:2019/06/14
Ionic liquids  IFC-COSMO  VLE  Ionic fragment  sigma-Profile  
Solubility Determination and Thermodynamic Modeling for the System NaCl-NH4Cl-Diethanolamine-H2O 期刊论文
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2019, 卷号: 64, 期号: 3, 页码: 895-904
Authors:  Wang, Qiaoxin;  Li, Zhibao
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Water Activity and Solubility of the System MgCl2-RbCl-H2O at 323.15K 期刊论文
JOURNAL OF SOLUTION CHEMISTRY, 2019, 卷号: 48, 期号: 3, 页码: 367-378
Authors:  Li, Hongxia;  Guo, Lijiang;  Li, Jianqiang
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Isopiestic method  Water activity  Solubility  Magnesium chloride  Rubidium chloride  Pitzer model  
Critical Assessment of Activities of Structural Units in Fe-Al Binary Melts Based on the Atom and Molecule Coexistence Theory 期刊论文
HIGH TEMPERATURE MATERIALS AND PROCESSES, 2018, 卷号: 37, 期号: 9-10, 页码: 815-848
Authors:  Yang, Xue-min;  Li, Jin-yan;  Yan, Fang-jia;  Duan, Dong-ping;  Zhang, Jian
Favorite  |  View/Download:27/0  |  Submit date:2018/12/04
Assessment  Activity of aluminum  Activity of iron  Fe-Al binary melts  Mass action concentration  Reaction ability  Atom and molecule coexistence theory (AMCT)  Structural units  
First principles investigations of the structural, electrical and optical properties of iron-doped zinc oxide (0001) surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 435-441
Authors:  Cheng, Jingsi;  Wang, Ping;  Hua, Chao;  Yang, Yintang;  Zhang, Zhiyong
Favorite  |  View/Download:29/0  |  Submit date:2018/11/02
ZnO  First principles  Iron  Surface  Optical properties  
Critical assessment of three kinds of activity coefficients of carbon and related mixing thermodynamic functions of Fe-C binary melts based on atom-molecule coexistence theory 期刊论文
JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL, 2018, 卷号: 25, 期号: 2, 页码: 181-199
Authors:  Yang, Xue-min;  Li, Jin-yan;  Yan, Fang-jia;  Duan, Dong-ping;  Zhang, Jian
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Fe-c Binary Melt  Carbon Activity Coefficient  Molar Mixing Thermodynamic Functions  Atom-molecule Coexistence Theory  Mass Action Concentration  Thermodynamic Model  Assessment  Structural Unit  
Computational prediction of cellulose solubilities in ionic liquids based on COSMO-RS 期刊论文
FLUID PHASE EQUILIBRIA, 2018, 卷号: 475, 页码: 25, 36
Authors:  Chu, YH;  Zhang, XP;  Hillestad, M;  He, XZ;  Chu, Yunhan;  Zhang, Xiangping;  Hillestad, Magne;  He, Xuezhong
Favorite  |  View/Download:18/0  |  Submit date:2018/12/29
Ionic liquids  EXPERIMENTAL-VERIFICATION  Cellulose solubility  ACTIVITY-COEFFICIENTS  COSMO-RS  MOLECULAR-DYNAMICS  Activity coefficient  SCREENING MODEL  Excess enthalpy  FORCE-FIELD  DISSOLUTION  SOLVATION  CHLORIDE  CHEMISTRY  SIMULATIONS  
Screening of Ionic Liquids for Keratin Dissolution by Means of COSMO-RS and Experimental Verification 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2018, 卷号: 6, 期号: 12, 页码: 17314, 17322
Authors:  Liu, X;  Nie, Y;  Liu, YR;  Zhang, SJ;  Skov, AL;  Liu, Xue;  Nie, Yi;  Liu, Yanrong;  Zhang, Suojiang;  Skov, Anne Ladegaard
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Keratin  REGENERATED WOOL KERATIN  Screening  CELLULOSE  Ionic liquids  SOLUBILITIES  dissolution capability  COEFFICIENTS  H-bond  EXTRACTION  
Mechanism, kinetic model and hydrogen ion apparent diffusion coefficient in magnesium hydroxide dissolution by pressurized carbonated water 期刊论文
REACTION KINETICS MECHANISMS AND CATALYSIS, 2017, 卷号: 122, 期号: 2, 页码: 819-838
Authors:  Bo, Jing;  Zhang, Yifei;  Zhang, Yi
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Mechanism  Kinetic Model  Dissolution Of Mg(Oh)(2)  Co2  Progressive Liquid Film  H++ Apparent Diffusion Coefficient  
Water Activity and Phase Equilibria Measurements and Model Simulation for the KCl-SrCl2-H2O System at 323.15 K 期刊论文
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2017, 卷号: 62, 期号: 11, 页码: 3753-3757
Authors:  Han, Haijun;  Guo, Lijiang;  Li, Dongdong;  Yao, Yan
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