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The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 7, 页码: 10
Authors:  Tong, Jiahuan;  Wu, Shengli;  von Solms, Nicolas;  Liang, Xiaodong;  Huo, Feng;  Zhou, Qing;  He, Hongyan;  Zhang, Suojiang
Favorite  |  View/Download:19/0  |  Submit date:2020/05/06
ionic liquids  electrolytes  battery  structure and property  MD simulations  
Three dimensional full-loop CFD simulation of hydrodynamics in a pilot scale dual fluidized bed system for biomass gasification 期刊论文
FUEL PROCESSING TECHNOLOGY, 2019, 卷号: 195, 页码: 10
Authors:  Luo, Hao;  Lin, Weigang;  Song, Wenli;  Li, Songgeng;  Dam-Johansen, Kim;  Wu, Hao
Favorite  |  View/Download:39/0  |  Submit date:2019/10/18
Biomass gasification  Dual fluidized bed  CFD simulations  EMMS  Solid inventory  
Potential-Energy Surface and Dynamics Simulation of THBDBA: An Annulated Tetraphenylethene Derivative Combining Aggregation-Induced Emission and Switch Behavior 期刊论文
CHEMPHOTOCHEM, 2019, 卷号: 3, 期号: 9, 页码: 814-824
Authors:  Ding, Wei-Lu;  Peng, Xing-Liang;  Cui, Gang-Long;  Li, Ze-Sheng;  Blancafort, Lluis;  Li, Quan-Song
Favorite  |  View/Download:46/0  |  Submit date:2019/11/12
aggregation-induced emission  conical intersections  density functional calculations  dynamics simulations  photoswitches  
Computational screening of zeolites for C3H7Cl/C3H5Cl separation and a conformation based separation mechanism 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2019, 卷号: 203, 页码: 212, 219
Authors:  Zhang, YJ;  Xu, YX;  Xu, JB;  Yang, C;  Zhang, Yujia;  Xu, Yinxiang;  Xu, Junbo;  Yang, Chao
Favorite  |  View/Download:67/0  |  Submit date:2019/06/14
Alkanes-olefins separation  METAL-ORGANIC FRAMEWORK  Conformation recognition  MOLECULAR-SIEVE  Zeolite  HYDROCARBON SEPARATIONS  Dihedral angle  ADSORPTIVE SEPARATION  GCMC  NANOPOROUS GRAPHENE  NEMD  MEMBRANES  ETHANE  SIMULATIONS  ETHYLENE  INSIGHTS  
Mechanical determination of particle-cell interactions and the associated biomedical applications 期刊论文
JOURNAL OF MATERIALS CHEMISTRY B, 2018, 卷号: 6, 期号: 44, 页码: 7129, 7143
Authors:  Zhang, X;  Song, C;  Ma, GH;  Wei, W;  Zhang, Xiao;  Song, Cui;  Ma, Guanghui;  Wei, Wei
Favorite  |  View/Download:43/0  |  Submit date:2018/12/29
ATOMIC-FORCE MICROSCOPY  MOLECULAR-DYNAMICS SIMULATIONS  CARBON NANOTUBE TIPS  COARSE-GRAINED MODEL  SINGLE-MOLECULE  NUCLEIC-ACIDS  SIGNALING PATHWAYS  METHYLENE-BLUE  DRUG-DELIVERY  OPTICAL TRAPS  
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:58/0  |  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  
A review of application of annular centrifugal contactors in aspects of mass transfer and operational security 期刊论文
HYDROMETALLURGY, 2018, 卷号: 177, 页码: 41
Authors:  Jing, XH;  Ning, PG;  Cao, HB;  Wang, JY;  Sun, Z;  Jing, Xiaohua;  Ning, Pengge;  Cao, Hongbin;  Wang, Jianyou;  Sun, Zhi
Adobe PDF(549Kb)  |  Favorite  |  View/Download:58/0  |  Submit date:2018/12/29
Hydrometallurgical Process  Liquid-liquid-extraction  Annular Centrifugal Contactors  Drop-size Distributions  Mass Transfer Enhancement  Solvent-extraction  Cascade  Enantioselective Extraction  Operational Security  Separators Experiments  Liquid-liquid Extraction  Reactive Extraction  Chiral Extraction  Acid Enantiomers  Cfd Simulations  Trpo Process  
Noncovalent interaction-assisted drug delivery system with highly efficient uptake and release of paclitaxel for anticancer therapy 期刊论文
INTERNATIONAL JOURNAL OF NANOMEDICINE, 2017, 卷号: 12, 页码: 7039-7051
Authors:  Wei, Yuping;  Ma, Liang;  Zhang, Liang;  Xu, Xia
Adobe PDF(2937Kb)  |  Favorite  |  View/Download:71/0  |  Submit date:2017/11/27
Paclitaxel  Drug Delivery  Cell Penetrating Peptide  Anticancer Therapy  Molecular Simulations  
Simulation of the multiphase flow in bubble columns with stability-constrained multi-fluid CFD models 会议论文
Article; Proceedings Paper, London, ENGLAND, SEP 19-23, 2016
Authors:  Xiao, Qi;  Wang, Jue;  Yang, Ning;  Li, Jinghai
Adobe PDF(4769Kb)  |  Favorite  |  View/Download:45/0  |  Submit date:2019/06/21
Multiphase Flow  Churn-turbulent Regime  Cfd  Eulerian Simulations  Bubble Column  Scale-up  Stability Condition  Hydrodynamics  Mesoscale  Reactors  Multiscale  Transition  Dynamics  Liquid  Velocity  Breakup  
Influence of Microstructure and Interaction on Viscosity of Ionic Liquids 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 卷号: 54, 期号: 13, 页码: 3505-3514
Authors:  Zhang, Xiaochun;  Huo, Feng;  Liu, Xiaomin;  Dong, Kun;  He, Hongyan;  Yao, Xiaoqian;  Zhang, Suojiang
Adobe PDF(4619Kb)  |  Favorite  |  View/Download:144/0  |  Submit date:2015/05/12
Molecular-force Field  Hybrid Density Functionals  Dynamics Simulations  Imidazolium Cation  Hydrogen-bonds  All-atom  Salts  Co2  Anions  Separations