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Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
Authors:  Cao, WD;  Wang, YT;  Saielli, G
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HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS  
Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 24, 页码: 5491-5504
Authors:  Chen, W;  Zhao, SL;  Holovko, M;  Chen, XS;  Dong, W;  Dong, W (reprint author), Univ Lyon 1, CNRS, Ecole Normale Super Lyon, UMR 5182,Lab Chim, 46 Allee Italie, F-69364 Lyon 07, France.;  Dong, W (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, POB 2735, Beijing 100190, Peoples R China.
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Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690
Authors:  Ramirez-Gonzalez, PE;  Ren, G;  Saielli, G;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160
Authors:  Saielli, G;  Wang, YT;  Saielli, G (reprint author), Univ Padua, Unit Padova, CNR Inst Membrane Technol, Via Marzolo, I-35131 Padua, Italy.;  Saielli, G (reprint author), Univ Padua, Dept Chem Sci, Via Marzolo, I-35131 Padua, Italy.
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Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 9, 页码: 3829-3836
Authors:  Saielli, G;  Bagno, A;  Wang, YT;  Saielli, G (reprint author), CNR, Inst Membrane Technol, Unit Padova, Via Marzolo, I-35131 Padua, Italy.
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Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 16, 页码: 4404-4411
Authors:  Ren, G;  Shi, R;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Particle Mesh Ewald  Electrolyte-solutions  Osmotic Coefficients  Dielectric Friction  Molecular Simulation  Ionic Liquids  Monte-carlo  Water  Nacl  Thermodynamics  
Effect of Side-Chain Length on Structural and Dynamic Properties of Ionic Liquids with Hydroxyl Cationic Tails 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 13, 页码: 3642-3649
Authors:  Wei, K;  Deng, L;  Wang, YT;  Ou-Yang, ZC;  Wang, GD;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Spatial Heterogeneity  Nanoscale Organization  Simulation  Electrochemistry  Lubricant  Nitrate  Acid  Nanoparticles  Electrolytes  Aggregation  
Ion-Cage Interpretation for the Structural and Dynamic Changes of Ionic Liquids under an External Electric Field 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 17, 页码: 5102-5112
Authors:  Shi, R;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Molten Sodium-chloride  Molecular-dynamics  Double-layer  Differential Capacitance  Electromagnetic-fields  Electrolyte-solutions  Transport-properties  Computer-simulation  Stokes-einstein  Self-diffusion  
Effect of the Chain Length on the Structure of Ionic Liquids: from Spatial Heterogeneity to Ionic Liquid Crystals 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 4, 页码: 1104-1109
Authors:  Ji, YM;  Shi, R;  Wang, YT;  Saielli, G;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 E Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Coarse-grained Models  Nanostructural Organization  Tail Aggregation  Solar-cells  Dynamics  Salts  Simulation  Behavior  Systems  
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
Authors:  Achari, VM;  Nguan, HS;  Heidelberg, T;  Bryce, RA;  Hashim, R;  Bryce, RA (reprint author), Univ Manchester, Sch Pharm & Pharmaceut Sci, Manchester M13 9PT, Lancs, England.
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Liquid-crystalline Glycosides  Deuterium Nmr Relaxation  Particle Mesh Ewald  Lipid-bilayer  Dodecyl Maltoside  Aqueous-solution  Phase-behavior  Alkyl Chains  Force-field  Simulations