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The structuring effect of the alkyl domains on the polar network of ionic liquid mixtures: a molecular dynamics study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 31, 页码: 18783-18792
作者:
Mazzilli, Valerio
;
Wang, Yanting
;
Saielli, Giacomo
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  |  
浏览/下载:9/0
  |  
提交时间:2023/01/16
SPATIAL HETEROGENEITY
AGGREGATION
SIMULATIONS
CATIONS
Coordination behavior of uranyl with PDAM derivatives in solution: Combined study with ESI-MS and DFT
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 300
作者:
Kong, Xiang-He
;
Wu, Qun-Yan
;
Zhang, Xin-Rui
;
Wang, Cui
;
Hu, Kong-Qiu
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  |  
浏览/下载:7/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
DENSITY-FUNCTIONAL THEORY
SELECTIVE EXTRACTION
MASS-SPECTROMETRY
LIGAND
COMPLEXES
ACTINIDES
SEPARATION
ELEMENTS
EU(III)
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
作者:
Cao, Wudi
;
Senthilkumar, Beeran
;
Causin, Valerio
;
Swamy, Vincent P.
;
Wang, Yanting
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  |  
浏览/下载:26/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS SIMULATIONS
SPATIAL HETEROGENEITY
THERMAL-BEHAVIOR
CHAIN-LENGTH
GUANIDINIUM
TRANSITION
AGGREGATION
TRANSPORT
INSIGHTS
STATE
Imidazolium-bis(salicylato) borate Ionic Liquids as Lubricant Additives: the Effect of Alkyl Chain Lengths on the Tribological Performance
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2017, 卷号: 38, 期号: 12, 页码: 2198-2205
作者:
Liu Dan
;
Sun Liwen
;
Zhang Yunxiao
;
Cai Tao
;
Shang Wangji
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  |  
浏览/下载:43/0
  |  
提交时间:2018/12/04
Halogen-free
Schiff-bases
Ester
Oil
Behavior
Friction
Saps
Zddp
Conformational Dynamics of Dry Lamellar Crystals of Sugar Based Lipids: An Atomistic Simulation Study
期刊论文
PLOS ONE, 2014, 卷号: 9, 期号: 6, 页码: e101110
ManickamAchari, V
;
Bryce, RA
;
Hashim, R
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  |  
浏览/下载:24/0
  |  
提交时间:2015/06/03
CARBOHYDRATE LIQUID-CRYSTALS
THERMOTROPIC PHASE-BEHAVIOR
BRANCHED-CHAIN GLYCOSIDES
PARTICLE MESH EWALD
MOLECULAR-DYNAMICS
SYNTHETIC GLYCOLIPIDS
PHOSPHOLIPID-BILAYERS
PHYSICAL-PROPERTIES
LYOTROPIC PHASES
HEAD GROUPS
Molecular dynamics simulations of the lyotropic reverse hexagonal (H-II) of Guerbet branched-chain beta-D-glucoside
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 卷号: 16, 期号: 1, 页码: 324-334
Nguan, H
;
Ahmadi, S
;
Hashim, R
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  |  
浏览/下载:18/0
  |  
提交时间:2014/04/25
X-RAY-DIFFRACTION
LIVER MICROSOMAL-MEMBRANES
LIQUID-CRYSTALLINE PHASES
SODIUM DODECYL-SULFATE
SYNTHETIC GLYCOLIPIDS
ASTONISHING DIVERSITY
NATURAL SURFACTANTS
AQUEOUS-SOLUTION
FORCE-FIELD
HII PHASE
Hydrogen-bond rich ionic liquids with hydroxyl cationic tails
期刊论文
CHEMICAL PHYSICS LETTERS, 2013, 卷号: 560, 期号: -, 页码: 32-36
作者:
Ou-Yang, ZC
;
Wang, YT
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2014/04/25
MOLECULAR-DYNAMICS SIMULATION
ALKYL CHAIN-LENGTH
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
LIQUID/WATER MIXTURES
COMPUTER-SIMULATIONS
WATER
TRIS(PENTAFLUOROETHYL)TRIFLUOROPHOSPHATE
AGGREGATION
ABSORPTION
Diffusion mechanisms in smectic ionic liquid crystals: insights from coarse-grained MD simulations
期刊论文
SOFT MATTER, 2013, 卷号: 9, 期号: 24, 页码: 5716-5725
作者:
Wang, YT
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2014/04/25
MOLECULAR-DYNAMICS SIMULATIONS
ALKYL CHAIN-LENGTH
GAY-BERNE MESOGEN
SELF-DIFFUSION
TRANSLATIONAL DIFFUSION
PHYSICOCHEMICAL PROPERTIES
ATOMISTIC SIMULATIONS
COMPUTER-SIMULATION
IMIDAZOLIUM SALTS
ORDER PARAMETERS
Molecular Dynamics Study of Anhydrous Lamellar Structures of Synthetic Glycolipids: Effects of Chain Branching and Disaccharide Headgroup
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 卷号: 116, 期号: 38, 页码: 11626-11634
Achari, VM
;
Nguan, HS
;
Heidelberg, T
;
Bryce, RA
;
Hashim, R
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2014/04/25
LIQUID-CRYSTALLINE GLYCOSIDES
DEUTERIUM NMR RELAXATION
PARTICLE MESH EWALD
LIPID-BILAYER
DODECYL MALTOSIDE
AQUEOUS-SOLUTION
PHASE-BEHAVIOR
ALKYL CHAINS
FORCE-FIELD
SIMULATIONS
On the Dynamics of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models II
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 20, 页码: 6886-6904
作者:
Wang, Yanting
;
Yan, TY , Nankai Univ, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China
;
Yan, Tianying
;
Knox, Craig
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  |  
浏览/下载:17/0
  |  
提交时间:2012/08/02
Kerr-effect Spectroscopy
Molecular-force Field
1-butyl-3-methyl Imidazolium Hexafluorophosphate
Alkyl Chain-length
Transport-properties
Physicochemical Properties
Intermolecular Dynamics
Dielectric Response
Relaxation Processes
Computer-simulation
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