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Modeling of the Competition between Uranyl Nitrate and Nitric Acid upon Extraction with Tri-n-butyl Phosphate 期刊论文
ACS OMEGA, 2020, 卷号: 5, 期号: 21, 页码: 12174-12183
Authors:  Tan, Boren;  Chang, Chao;  Xu, Dongbing;  Wang, Yong;  Qi, Tao
Favorite  |  View/Download:2/0  |  Submit date:2020/07/23
Critical assessment of mixing thermodynamic functions of Fe-Al binary melts based on atom-molecule coexistence theory 期刊论文
JOURNAL OF IRON AND STEEL RESEARCH INTERNATIONAL, 2020, 卷号: 27, 期号: 3, 页码: 266-281
Authors:  Yang, Xue-min;  Li, Jin-yan;  Yan, Fang-jia;  Duan, Dong-ping
Favorite  |  View/Download:12/0  |  Submit date:2020/05/21
Thermodynamic assessment  Fe-Al binary melt  Molar mixing thermodynamic function  Excess molar mixing thermodynamic function  Activity  Atom and molecule coexistence theory  
COSMO-RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture 期刊论文
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY, 2020, 页码: 12
Authors:  Zhang, Zhigang;  Lu, Ruizhe;  Zhang, Qinqin;  Chen, Jinling;  Li, Wenxiu
Favorite  |  View/Download:14/0  |  Submit date:2020/03/24
ionic liquid  acetonitrile-ethanol separation  COSMO-RS  vapor-liquid equilibrium  reduce density gradient  
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
Adobe PDF(4514Kb)  |  Favorite  |  View/Download:64/0  |  Submit date:2019/06/14
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
Favorite  |  View/Download:47/0  |  Submit date:2019/06/14
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
Favorite  |  View/Download:53/0  |  Submit date:2019/06/14
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
Adobe PDF(3007Kb)  |  Favorite  |  View/Download:73/0  |  Submit date:2018/11/02
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
Adobe PDF(3382Kb)  |  Favorite  |  View/Download:82/0  |  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  
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
Favorite  |  View/Download:84/0  |  Submit date:2018/06/11
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
Adobe PDF(2088Kb)  |  Favorite  |  View/Download:53/0  |  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