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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
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Ionic liquids  IFC-COSMO  VLE  Ionic fragment  sigma-Profile  
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  
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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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
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Zno  First Principles  Iron  Surface  Optical Properties  
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
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Assessment  Activity Of Aluminum  Activity Of Iron  Fe-al Binary Melts  Mass Action Concentration  Reaction Ability  Atom And Molecule Coexistence Theory (Amct)  Structural Units  
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
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
Authors:  Chu, YH;  Zhang, XP;  Hillestad, M;  He, XZ;  Chu, Yunhan;  Zhang, Xiangping;  Hillestad, Magne;  He, Xuezhong
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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
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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