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Structural strategies to design bio-ionic liquid: Tuning molecular interaction with lignin for enhanced lubrication 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 280, 期号: -, 页码: 49—57
Authors:  Mu, LW;  Ma, XF;  Guo, XJ;  Chen, MJ;  Ji, T;  Hua, J;  Zhu, JH;  Shi, YJ
View  |  Adobe PDF(3071Kb)  |  Favorite  |  View/Download:1/0  |  Submit date:2019/12/30
GREEN LUBRICANTS  AMINO-ACIDS  ELASTOHYDRODYNAMIC LUBRICATION  HYDROGEN-BONDS  BEHAVIOR  PRETREATMENT  ADDITIVES  VISCOSITY  BOUNDARY  DYNAMICS  
Theoretical evaluation of microscopic structural and macroscopic thermo-physical properties of molten AF-ThF4 systems (A = Li+, Na+ and K+) 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 277, 期号: -, 页码: 409—417
Authors:  Guo, XJ;  Qian, HL;  Dai, JX;  Liu, WH;  Hu, JT;  Shen, RF;  Wang, JQ
View  |  Adobe PDF(2195Kb)  |  Favorite  |  View/Download:1/0  |  Submit date:2019/12/30
MOLECULAR-DYNAMICS SIMULATION  CHARGE DECOMPOSITION ANALYSIS  SALT REACTOR  1ST-PRINCIPLES DESCRIPTION  LIQUID BEF2  BASIS-SETS  MIXTURES  THORIUM  SCHEME  
Decontamination performance of magnetic graphene oxide towards nickel ions and its underlying mechanism investigation by XAFS 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 258, 页码: 48-56
Authors:  Jin, CA;  Feng, GF;  Linghu, WS;  Zhang, LY;  Shen, RP;  Hu, J;  Huang, YY;  Zhu, YL;  Asiri, AM;  Marwani, HM;  Wu, XL;  Sheng, J
View  |  Adobe PDF(1372Kb)  |  Favorite  |  View/Download:89/43  |  Submit date:2018/09/06
Layered Double Hydroxide  Nanoscale Zerovalent Iron  Absorption Fine-structure  Highly Efficient Capture  Modeling Techniques  Titanate Nanotubes  Aqueous-solutions  Fulvic-acid  Carbonaceous Nanofibers  Enhanced Sequestration  
Investigation on molecular structure of molten Li2BeF4 (FLiBe) salt by infrared absorption spectra and density functional theory (DFT) 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 242, 期号: -, 页码: 1052-1057
Authors:  Liu, ST;  Su, T;  Cheng, JH;  An, XH;  Zhang, P;  Liu, HT;  Yao, SD;  Xie, LD;  Hou, HQ
View  |  Adobe PDF(715Kb)  |  Favorite  |  View/Download:101/18  |  Submit date:2018/08/30
Raman-spectra  Vibrational-spectra  Reflection Spectra  Fluoride Salts  Ir  Reactor  Chemistry  Nitrates  Lif-bef2  Liquids  
Macroscopic and spectroscopic exploration on the removal performance of titanate nanotubes towards Zn(II) 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 244, 期号: -, 页码: 146-153
Authors:  Linghu, WS;  Sun, YX;  Yang, H;  Chang, KK;  Sheng, GD;  Hayat, T;  Alharbi, NS;  Ma, JY
View  |  Adobe PDF(1318Kb)  |  Favorite  |  View/Download:43/14  |  Submit date:2018/08/30
Aqueous-solution  Competitive Adsorption  Hydrothermal Method  Selective Removal  Oxide Composite  Ionic-strength  High-efficient  Zinc Sorption  Adsorbent  Equilibrium  
Decontamination of U(VI) from nZVI/CNF composites investigated by batch, spectroscopic and modeling techniques 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 237, 期号: -, 页码: 1-9
Authors:  Hu, BW;  Mei, X;  Li, X;  Hu, J;  Xu, D;  Ma, JY;  Huang, YY
View  |  Adobe PDF(1591Kb)  |  Favorite  |  View/Download:43/13  |  Submit date:2018/08/30
Zero-valent Iron  Nanoscale Zerovalent Iron  Ray Photoelectron-spectroscopy  Fine-structure Spectroscopy  Layered Double Hydroxide  In-situ Bioreduction  Carbonaceous Nanofibers  Enhanced Sequestration  Competitive Sorption  Bacillus-subtilis  
First-principle investigation of the structure and vibrational spectra of the local structures in LiF-BeF2 Molten Salts 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2016, 卷号: 213, 期号: -, 页码: 17—22
Authors:  Dai, JX;  Han, H;  Li, QN;  Huai, P;  Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
View  |  Adobe PDF(1051Kb)  |  Favorite  |  View/Download:75/25  |  Submit date:2016/09/12
Initio Molecular-dynamics  Space Gaussian Pseudopotentials  Infrared-spectrum  Liquid Water  Protonated Peptides  Raman-spectra  Spectroscopy  Simulations  Density  Mixtures  
Molecular dynamics studies of the structure of pure molten ThF4 and ThF4-LiF-BeF2 melts 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2015, 卷号: 211, 页码: 747—753
Authors:  Dai, JX;  Long, DW;  Huai, P;  Li, QNA;  Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
View  |  Adobe PDF(906Kb)  |  Favorite  |  View/Download:67/16  |  Submit date:2016/03/04
Fluoride Complex-ions  Raman-spectra  1st-principles Description  Salt Reactor  Liquid Bef2  Mixtures  Lif  Simulation  Chlorides  Lif-bef2