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刘洪来
重点项目
项目编号:
20736002 【年份:2007】
项目名称:
化工新材料的纳微结构及其制备和性能研究
资助金额:
155万
单位名称:
华东理工大学
学科分类:
B0801.化工热力学
参与者:
华东理工大学
化工新材料的纳微结构及其制备和性能研究
项目批准号:
20736002
批准年份:
2007
学科分类:
B0801.化工热力学
项目负责人:
刘洪来
资助类别:
重点项目
负责人职称:
教授
依托单位:
华东理工大学
资助金额:
155万元
关键词:
化工新材料;界面现象;纳微结构;计算机模拟;密度泛函理论
起止时间:
2008-01-01到2011-12-31
中英文摘要
结题摘要
结题报告
项目成果
项目参与人
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期刊论文
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1
Biophysical Characterization of Complexation of DNA with oppositely charged Gemini surfactant 12-3-12
期刊论文
2
新型Ni/TiO_2催化剂用于对硝基苯酚催化加氢
期刊论文
3
Capture of Trace Sulfur Gases from Binary Mixtures by Single-Walled Carbon Nanotube Arrays: A Molecular Simulation Study
期刊论文
4
Time-temperature and time-concentration superposition of nanofilled elastomers: A molecular dynamics study
期刊论文
5
材料化学工程中的热力学与分子模拟研究
专著
6
How does halogen bonding behave in solution? A theoretical study using implicit solvation model
期刊论文
7
介孔氧化钛晶须气相光催化降解三氯乙烯
期刊论文
8
The CO2 Adsorption and CO2/CH4 separation in the Metal Organic Framework(MOF) – The affection of Charge Models
会议论文
9
Mixed-Matrix Membrane Hollow Fibers of Cu3(BTC)2 MOF and Polyimide for Gas Separation and Adsorption
期刊论文
10
CNT@Cu3(BTC)2 and Metal-Organic Frameworks for Separation of CO2/CH4 Mixture
期刊论文
11
Metal-organic frameworks with incorporated carbon nanotubes: Improving CO2 and CH4 storage capacities by lithium doping
期刊论文
12
Pt改性的高结晶度TiO_2晶须的光催化性能
期刊论文
13
Polyelectrolyte-Macroion Complexation in 1:1 and 3:1 Salt Contents: A Brownian Dynamics Study
期刊论文
14
Effect of bridging conformation of polyelectrolytes on static and dynamic properties of macroions
期刊论文
15
Electrical Properties and Stability of Poly( N -isopropylacylamide- co -methacrylic Acid) Core-Shell Microgel
期刊论文
16
模拟指导的纳微气体存储材料的实验制备
会议论文
17
Non-equilibrium thermodynamics analysis and its application in interfacial mass transfer
期刊论文
18
节能减排,从不可逆热力学谈起
会议论文
19
Thermodynamic study on the reactivity of trace organic contaminant with the hydroxyl radicals in waters by advanced oxidation processes
期刊论文
20
Polymer-nanoparticle interfacial behavior revisited: A molecular dynamics study
期刊论文
21
A lattice-fluid model for multi-component ionic-liquids systems
期刊论文
22
Adsorption Technology for Capture CO2 from Flue Gas:Adsorbents & rocesses
会议论文
23
复杂流体的分子热力学
奖励
24
Development and Application of Equation of State for Square-well Chain-like Fluid with Variable Interaction Range
会议论文
25
Molecular dynamics simulation study of ionic hydration in negatively charged single-walled carbon nanotubes
期刊论文
26
Direct Electrochemistry of Horseradish Peroxidase based on Gemini surfactant protected gold nanoparticles modified Glassy Carbon Electrode
会议论文
27
Nanopatterned surface with adjustable area coverage and feature size fabricated by photocatalysis
期刊论文
28
CO2-Induced Microstructure Transition of Surfactant in Aqueous Solution: Insight from Molecular Dynamics Simulation
期刊论文
29
Triple Assembly of ZnO, Large-Scale Hollow Spherical Shells with Flower-Like Species Consisting of Rods Grown on the Outer Surfaces of Shells
期刊论文
30
Deformation and fracture of polystyrene/polypropylene blends: A simulation study
期刊论文
31
Phase Equilibria, Morphologies of Micro-Phase Separation and Interfacial Structures of Polymer Systems Studied by Equation of State
期刊论文
32
A Simple Approach of Mass Transport On Gas-Liquid Interface by Statistical Rate Theory
会议论文
33
离子液体及其相平衡的关联与预测模型
专著
34
Influence of the solvent properties on MCM-41 surface modification of aminosilanes
期刊论文
35
超细耐磨钛酸盐纤维制备新技术及其应用
奖励
36
Comparative study of the tribological and corrosive properties of PTFE composites filled with different fibers
会议论文
37
非平衡热力学在界面传递过程中的应用
期刊论文
38
Multi-scaled density functional theory for helical polymers
期刊论文
39
Study of the interaction between a diblock polyelectrolyte PDMA-b-PAA and gemini surfactant 12-6-12 in basic media
期刊论文
40
Single-crystalline and reactive facets exposed anatase TiO2 nanofibers with enhanced photocatalytic properties
期刊论文
41
Release of lysozyme from the branched polyelectrolyte- lysozyme complexations
期刊论文
42
Volume Connectivity Index: A New Approach for Estimation of Density of Ionic Liquids
期刊论文
43
Thermodynamics Analysis of Porous Crystal Formation from Phase Transition Coupling with Dissolution
会议论文
44
Estimation of Vapor-Liquid Equilibrium for Polymer Solution using the COSMO-SAC Model
会议论文
45
Effects of pore structure of mesoporous silicas on the electrochemical properties of hemoglobin
期刊论文
46
Nanoparticle Dispersion and Aggregation in Polymer Nanocomposites: Insights from Molecular Dynamics Simulation
期刊论文
47
A new lattice density functional theory for polymer adsorption at solid-liquid interface
期刊论文
48
Molecular simulation of solute hydration structure in nanoscale confinement
期刊论文
49
Simple fabrication of rutile titanium dioxide whiskers
期刊论文
50
Investigation of the Fundamental Interactions among the Ingredients of Flux by the Group Contribution Method
会议论文
51
Zeolitic Imidazolate Framework-8 as a Luminescent Material for the Sensing of Metal Ions and Small Molecules
期刊论文
52
A Thermodynamic model for the swelling of Thermo-Sensitive Hydrogels
期刊论文
53
Non-equilibrium thermodynamics analysis in interfacial mass transfer for the synthesis and applications of mesoporous titania
会议论文
54
Surface modification and characterization of SEBS films obtained by in situ and ex situ oxidization with potassium permanganate
期刊论文
55
Lattice fluid model for multicomponent ionic liquid systems
会议论文
56
DNA Melting in Slit Pores: A Reaction Density Functional Theory
期刊论文
57
Metal Modified Mesoporous Material MCM-41 and Its Application in CO2 Capture from Flue Gas
会议论文
58
The Synthesis of Zeolite /Mesoporous Composites and their Applications in CO2 Adsorption
会议论文
59
Alkaline-earth and Transition Metals in Covalent-Organic Frameworks for Enhancing CO2 Capture by First-Principles Calculations and Molecular Simulations
期刊论文
60
Molecular Thermodynamic Models for Fluids of Chain-like Molecules, Applications in Phase Equilibria and Micro Phase Separation, in Bulk and at Interface
期刊论文
61
Aggregation behavior of N-carboxyethylchitosan in aqueous solution: effects of pH, polymer concentration, and presence of a gemini surfactant
期刊论文
62
New development of equation of state for square-well chain-like molecules with variable well width 1.1(((3.
期刊论文
63
Conformation of a spherical polyelectrolyte brush in presence of oppositely charged linear polyelectrolytes
期刊论文
64
Simulating synthesis of hydrogen storage materials
会议论文
65
Polyimide and Cu3(BTC)2 MOF mixed matrix membranes for gas separation and adsorption
会议论文
66
Synthesis of gold nanoparticles coated with polystyrene- block- poly(N-isopropylacrylamide) and their thermo-responsive ultraviolet-visible absorbance
期刊论文
67
介孔TiO_2的水热法制备及其光催化性能
期刊论文
68
基于格子的链状流体分子热力学模型
期刊论文
69
Preparation of Highly Crystalline Mesoporous TiO2 by Using Carbon to Protect the Pore Structure at Elevated Temperature
会议论文
70
An approach of mass transport on gas-liquid interface by linear nonequilibrium thermodynamics
会议论文
71
Microphase Separation and Morphology of the Real Polymer System by Dynamic Density Functional Theory, Based on Equation of State
期刊论文
72
Self-assembly nano-structure of type I collagen adsorbed on Gemini surfactant LB monolayers
期刊论文
73
Significant Enhancement of Lithium Intercalation Into Mesoporous Titania with Trace TiO2-B On Surface
会议论文
74
Heterogeneity characterization of ordered mesoporous carbon adsorbent CMK-1 for methane and hydrogen storage: GCMC simulation and comparison with experiment
期刊论文
75
A shortcut for evaluating activities of TiO2 facets: water dissociative chemisorption on TiO2-B (100) and (001)
期刊论文
76
Low-Temperature CO Oxidation of Gold Catalysts Loaded on Mesoporous TiO2 Whisker Derived from Potassium Dititanate
期刊论文
77
金属有机骨架材料的实验制备及改性
会议论文
78
One-step synthesis of micro/ mesoporous materials templated by CTAB and imidazole ionic liquid in aqueous solution
期刊论文
79
Aggregation of Polymer-Grafted Nanoparticles in Good Solvents: A Hierarchical Modeling Method
期刊论文
80
Process intensification of heterogeneous photocatalysis with static mixer: Enhanced mass transfer of reactive species
期刊论文
81
Molecular thermodynamic model of polymer systems based on lattice model, Participation of molecular simulation in the development of molecular-thermodynamic models
会议论文
82
Halogen Bonding Interactions between Brominated Ion Pairs and CO2 Molecules: Implications for Design of New and Efficient Ionic Liquids for CO2 Absorption
期刊论文
83
High Capacity Hydrogen Storage in Porous Aromatic Frameworks with Diamond-like Structure
期刊论文
84
Equation of state for square-well chain molecules with variable range I. application for pure substances
期刊论文
85
Adsorption of nonuniformly charged fullerene-like nanoparticle on planar polyelectrolyte brushes in aqueous solutions
期刊论文
86
A free-space density functional theory for polymer adsorption: Influence of packing effect on conformations of polymer
期刊论文
87
Simulation-targeted experimental synthesis of MOFs/COFs for hydrogen storage and CO2 capture
会议论文
88
CO2 Adsorption on Porous Materials: Experimental and Simulation Study
期刊论文
89
Synthesis of Thermo-Responsive Polymeric Micelles of Pnipaam-B-Omma as a Drug Carrier for Loading and Controlled Release of Prednisolone
会议论文
90
Synthesis, Characterization and Application of Mesoporous Titania Prepared from Layered Titanate
期刊论文
91
Density Functional Theory for Adsorption of Gas Mixtures in Metal–Organic Frameworks
期刊论文
92
Highly Thermal Stable and Highly Crystalline Anatase TiO2 for Photocatalysis
期刊论文
93
Technique and Simulation on CO2 Capture
会议论文
94
Silicon nanotubes as a promising candidate for hydrogen storage: From first-principle calculation to GCMC simulations
期刊论文
95
Micellization of cationic Gemini surfactant and its interaction with DNA in dilute brine
期刊论文
96
The synthesis of 5A-mesoporous composites for CO2 adsorption
会议论文
97
Molecular dynamics study on nanoparticle diffusion in polymer melts: A test of Stokes-Einstein law
期刊论文
98
Carbon dioxide capture by amine-impregnated mesocellular foam with template
会议论文
99
Crystallization Behavior of “wet brush” and “Dry-Brush” blends of PS-b-PEO-b-PS/h-PEO
期刊论文
100
Synthesis of CuS nanocrystal in cationic gemini surfactant W/O microemulsion
期刊论文
101
基于格子模型的多元流体混合物分子热力学模型
会议论文
102
储氢材料的现状及硅纳米管储氢的分子模拟设计
会议论文
103
Equation of State for Square-well Chain Molecules with Variable Range II. Extension to Mixtures
期刊论文
104
Density-functional theory for inhomogeneous hyperbranched polymeric fluids: Polydisperse effect of degree of branching
期刊论文
105
Li12Si60H60 fullerene composite: A promising hydrogen storage medium
期刊论文
106
Self-Assembly of Star Polymer-Attached Nanospheres for Polymer Nanocomposites
期刊论文
107
Novel Chemical Sensor for CO and NO: Silicon Nanotube
期刊论文
108
Microphase separation of a diblock copolymer dispersed in nanorods array grafted on a plate: A Monte Carlo study, Macrom.
期刊论文
109
A molecular thermodynamic model for temperature- and solvent-sensitive hydrogels, application to the swelling behavior of PNIPAm gels in ethanol/water mixture
期刊论文
110
Li-doped and non-doped covalent organic borosilicate frameworks for hydrogen storage
期刊论文
111
低维钛酸盐与树脂基耐磨复合材料的设计与工业化应用
奖励
112
A new molecular-thermodynamic model based on lattice fluid theory: application to pure fluids and their mixtures
期刊论文
113
Morphology Transition of Diblock Copolymer under Curved Confinement: Theory and Simulation
会议论文
114
Density Functional Theory for Rod-Coil Polymers with Different Size Segments
期刊论文
115
Translocation of polymer through a nanopore studied by Dissipative Particle Dynamics
会议论文
116
Molecular Thermodynamics of Complex Systems
专著
117
The effect of thermal conductivity and friction coefficient on the contact temperature of polyimide composites studied by finite element simulation
会议论文
118
吸附法CO2的捕集分离和模拟
会议论文
119
低维钛酸盐与树脂基耐磨复合材料的设计和工业化应用
奖励
120
Equation of state for square-well chain molecules with variable range: Extension to associating fluids
期刊论文
121
Prediction of vapor–liquid equilibrium for polymer solutions based on the COSMO-SAC model
期刊论文
122
Development of a three-dimensional density functional theory for H2 storage in metal-organic frameworks
期刊论文
123
Molecular dynamics simulation for insight into microscopic mechanism of polymer reinforcement
期刊论文
124
Understanding self-assembly of rod-coil copolymer in nanoslits
期刊论文
125
High Uptakes of Methane in Li-doped 3D Covalent Organic Frameworks
期刊论文
126
Mechanical and Tribological Behavior of Nanometer and Micrometer TiO2 Particle-Filled polyimide
会议论文
127
Direct electrochemistry of hemoglobin immobilized on siliceous mesostructured cellular foam
期刊论文
128
复杂流体的分子热力学
专著
129
Influence of spacer of gemini on the interaction between cationic gemini surfactant and stearic acid in mixed monolayers
期刊论文
130
Effect of the Spacer Group on the Behaviors of the Cationic Gemini Surfactant Monolayer at the Air/Water Interface
期刊论文
131
Molecular dynamics simulations of polyelectrolyte-surfactant interactions: effect of hydrophilicity and hydrophobicity of polyelectrolyte
会议论文
132
Influence of imidazolium ionic liquids on vapor-liquid equilibria for acetonitrile + water at 101.325kPa
会议论文
133
Effect of ionic liquids CnmimBr on properties of Gemini 12-3-12 aqueous solution
期刊论文
134
Friction and Wear Behaviors of Solid lubricants/Polyimide composites in liquid mediums
会议论文
135
A Molecular Thermodynamic Model for Random Copolymer Solutions
期刊论文
136
Carbon titania mesoporous composite whisker as stable supercapacitor electrode material
期刊论文
137
Computational characterization of hexagonally ordered carbon nanopipes CMK-5 and structural optimization for H2 storage
期刊论文
138
The Synthesis of 5A Zeolite/Mesoporous composites and its Application for CO2 Capture.
会议论文
139
Effects of structure, temperature and strain rate on mechanical properties of SiGe nanotubes
期刊论文
140
Solvent-induced Crystallization of PS-b-PEO-b-PS block copolymer films
期刊论文
141
Molecular Simulation & Thermodynamics for Materials-oriented Chemical Engineering
会议论文
142
Effects of Pressure on Structure and Dynamics of Model Elastomers:A Molecular Dynamics Study
期刊论文
143
Density functional theory for predicting polymer forces against surface fouling
期刊论文
144
Structure, energetics and thermal evolution of SiGe nanotubes
期刊论文
145
Molecular simulation study of the effect of inner wall modified groups on ionic hydration confined in carbon nanotube
期刊论文
146
Modeling of the thermodynamic properties of aqueous ionic liquid solutions with an equation of state for square well chain fluid with variable range
期刊论文
147
Modeling of specific structure crystallization coupling with dissolution
期刊论文
148
Simulation-targeted experimental synthesis of MOFs/COFs for hydrogen storage and CO2 capture
会议论文
149
Hydrogen storage in a novel material of silicon nanotube: from the first principle calculation to molecular simulation
会议论文
150
Enhanced Photocatalytic Activity in Anatase/TiO2(B) Core-Shell Nanofiber
期刊论文
151
Equation of state for square-well chain molecules with variable range: extension to associating fluids.
会议论文
152
Li-doped 3D covalent organic frameworks: High capacity hydrogen storage materials
期刊论文
153
Photosynthesis-inspired design approach of a liquid phase heterogeneous photoreactor
期刊论文
154
Molecular thermodynamic model of polymer and ionic liquid systems based on lattice, Participation of molecular simulation in the development of molecular-thermodynamic models
会议论文
155
Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation
期刊论文
156
Density functional theory for adsorption of colloids on the polymer-tethered surfaces: Effect of polymer chain architecture
期刊论文
157
Atomistic modeling of multi-shell onion-ring bimetallic nanowires and clusters
期刊论文
158
Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes
期刊论文
159
Diffusion of water molecules confined in slits of rutile TiO2(1 1 0) and graphite(0 0 0 1)
期刊论文
160
储氢材料的模拟合成
会议论文
161
二氧化钛材料微观结构与应用性能的联系
期刊论文
162
Adsorption of CO2 and CO2 /CH4 in 3D-Covalent Organic Framework— a Molecular Simulation Study
会议论文
163
Prediction of the Phase Behavior of Ionic Liquid Solutions
期刊论文
164
状态方程——不仅仅限于pVT和相平衡计算
会议论文
165
Kinetics of NaBH4 hydrolysis on carbon-supported ruthenium catalysts, Intern.
期刊论文
166
Hydrogen storage in ordered porous materials: A multiscale simulation study
会议论文
167
Modelling of mass transfer coupling with crystallization kinetics in microscale
期刊论文
168
Experimental and Computer Simulation Studies for the Adsorption Separation of CO2 from Flue Gas by 5A-MCM-41 Micro/mesoporous Composite,Symposium on Greenhouse Gas Emissions: Control
会议论文
169
Aggregate morphologies of PS-b-PEO-b-PS copolymer in mixed solvents
期刊论文
170
Diffusion of Water Molecules Confined in Slits of Rutile TiO2 (110) and Graphite (0001)
会议论文
171
Hydrogen storage in mesoporous coordination frameworks: Experiment and molecular simulation
期刊论文
172
The solubility of Alkali chloride (MCl) in the mixture of ionic liquid ([Bmim]Cl) and water
会议论文
173
Formation of novel morphologies of surfactant- inorganic-water systems under spherical confinements
期刊论文
174
Adsorption and Diffusion of methanol, Glycerol, and their mixtures in a metal organic framework
期刊论文
175
A universal version of density functional theory for polymers with complex architecture
期刊论文
176
Simulation-targeted experimental synthesis of MOFs/COFs for improving gas storage
会议论文
177
Li-doping on MOF/COF for improving gas adsorption
会议论文
178
Water Molecule Behaviors In TiO2 Nano-Slits with Heterogeneous Modification by Carbon
会议论文
179
Competitive Adsorption and Assembly of Block Copolymer Blends on Nanopatterned Surfaces
期刊论文
180
Molecular thermodynamic model of multicomponent fluid mixtures based on a lattice model
期刊论文
181
Synthesis and properties of electrically-sensitive Poly(acrylic acid-co-acetoacetoxy ethyl methacrylate) gels
期刊论文
182
Computer Simulation for Adsorption and Separation of CO2/CH4/H2/N2 Pure and Mixtures by UMCM-1 and UMCM-2 Metal Organic Frameworks
期刊论文
183
Static and dynamic properties of model elastomers with various cross-linking densities: A molecular dynamics study
期刊论文
184
An enhanced CdS/TiO2 photocatalyst with high stability and activity: Effect of mesoporous substrate and bifunctional linking molecule
期刊论文
185
Nanopatterns of ABA triblock copolymer thin film formed on water surface
期刊论文
186
CO2 Capture from Flue Gas by Adsorption Separation Technique: Experiment and Simulation
会议论文
187
Ion exchange kinetics of potassium tetratitanate fibers based on statistical rate theory
会议论文
188
Simulating synthesis of metal nanorods, nanoplates and nanoframes by self-assembly of nanoparticle building blocks
期刊论文
189
Counterion valence-induced tunnel formation in a system of polyelectrolyte brushes grafted on two apposing walls
期刊论文
190
Simulating design of novel materials for hydrogen storage and self-assembly of polymer/nanoparticles
会议论文
191
Effect of pore structure of SBA-15 on immobilization of Hemoglobin
期刊论文
192
Metal (Pd, Pt)-Decorated Carbon Nanotubes for CO and NO Sensing
期刊论文
193
含TiO_2(B)介孔氧化钛材料的制备、特性和应用
期刊论文
194
Effect of tail architecture on self-assembly of amphiphiles for polymeric micelles
期刊论文
195
Molecular Dynamics Study of Pore Inner Wall Modification Effect in Structure of Water Molecules Confined in Single-Walled Carbon Nanotubes
期刊论文
196
Mixed Monolayers of Gemini Surfactants and Stearic Acid at the Air/Water Interface
期刊论文
197
Molecular thermodynamic model of polymer systems based on lattice
会议论文
198
Modeling the Transport of K+ at Solid-Solution Interface by Chemical Potential Gradient and Its Application
会议论文
199
Depletion interaction between a colloidal particle and a polymer-protected surface: rule of polymer adsorption
会议论文
200
The adsorption of gases on titanic modified silica mesoporous material Ti-MCM-41
会议论文
201
Calculations of surface tension and viscosity using equation of state for square-well chain fluid with variable interaction range
会议论文
202
Molecular thermodynamic model for swelling behavior and volume phase transition of multi-responsive hydrogels
期刊论文
203
A multiscale simulation approach for simulating synthesis of materials for energy gas storage
会议论文
204
Molecular Simulation and Density Function Theory for the CO2 Capture in Porous Materials
会议论文
205
Modeling pVT Properties and Phase Equilibria for Systems Containing Ionic Liquids Using a New Lattice Fluid Equation of State.
期刊论文
206
Adsorption and dissociation of ammonia on clean and metal-doped TiO2 rutile (110) surfaces: A comparative DFT study
期刊论文
207
Equation of state for chain-like fluid based on statistical theory for chemical association
会议论文
208
Multiscale simulation and modelling of adsorptive processes for energy gas storage and carbon dioxide capture in porous coordination frameworks
期刊论文
209
Adsorption of Copolymers in a Selective Nanoslit: A Hybrid Density Functional Theory
期刊论文
210
Translocation of polymer through a naopore studied by Dissipative Particle Dynamics
期刊论文
211
Designing thermo-switchable nanochannel for nanofluidic controllable transportation,
期刊论文
212
Computer simulation for adsorption of CO2, N2 and flue gas in a mimetic MCM-41
期刊论文
213
Synthesis of thermosensitive micelles based on poly(N-isopropylacrylamide) and poly(L-alanine) for controlled release of adriamycin
期刊论文
214
新型介孔SO_4~(2-)/TiO_2固体酸的制备及其催化酯化性能
期刊论文
215
A molecular thermodynamic model of multicomponent mixtures based on lattice model
会议论文
216
Solubilities of element sulfur in pure organic solvents and organic solvent-ionic liquid mixtures from 293.15 to 353.15K
期刊论文
217
Lithium Doping on Metal-Organic Frameworks for Enhancing Hydrogen Storage
期刊论文
218
Anomalous Hydration Shell Order of Na+ and K+ inside Carbon Nanotubes
期刊论文
219
Effect of polymer-substrate interactions on the surface morphology of polymer blend thin films: comparison between simulation and experiment
期刊论文
220
A Molecular Thermodynamic Model for DNA Melting in Ionic and Crowded Solutions
期刊论文
221
Flow-induced Morphologies of Diblock Copolymer in a Cylindrical Tube Studied by Dissipative Particle Dynamics
期刊论文
222
Adsorption of CO2, CH4, CO2/N2 and CO2/CH4 in novel activated carbon beads: preparation, measurements and simulation
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223
基于化学缔合统计理论的链状流体状态方程
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224
Silicon Nanotube: A Promising Candidate for Hydrogen Storage
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225
Dissociation of methanol on hydroxylated TiO2-B (1 0 0) surface: Insights from first principle DFT calculation
期刊论文
226
Comparative Study in Liquid-Phase Heterogeneous Photocatalysis: Model for Photoreactor Scale-Up
期刊论文
227
Application of a new lattice fluid equation of state based on chemical association theory for polymer systems
期刊论文
228
Preparation of highly crystalline mesoporous TiO2 by using carbon to protect the pore structure at elevated temperature
期刊论文
229
Stability of Pt nanoparticles and enhanced photocatalytic performance in mesoporous Pt-(anatase/TiO2(B)) nanoarchitecture
期刊论文
230
减排过程的节能机制
会议论文
231
Theoretical investigation of CO adsorption on clean and hydroxylated TiO2-B (100) surfaces
期刊论文
232
纳米受限下溶质水化结构的分子模拟(英文)
期刊论文
233
Effect of polymer-substrate interactions on the surface morphology of polymer blend thin films
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234
Thermodynamic Analysis on the Mineralization of Trace Organic Contaminants with Oxidants in Advanced Oxidation Processes
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235
新型纳微结构材料的分子设计及模拟指导下的材料合成
会议论文
236
MoO_3/TiO_2催化剂的二苯并噻吩加氢脱硫性能
期刊论文
237
氧气在聚丙烯内吸附和扩散的分子模拟
期刊论文
238
Facile Preparation of High-Capacity Hydrogen Storage Metal-Organic Frameworks: A Combination of Microwave-Assisted Solvothermal Synthesis and Supercritical Activation
期刊论文
239
Mg Modified Mesoporous Material SBA-15s and Their CO2 Adsorpotion Capacities
会议论文
240
Dual-stimuli responsive behaviors of Diblock Polyampholyte PDMAEMA-b-PAA in Aqueous Solution
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An Improved Classical United-Atom Force Field for Imidazolium-Based Ionic Liquids: Tetrafluoroborate, Hexafluorophosphate, Methylsulfate, Trifluoromethylsulfonate, Acetate, Trifluoroacetate and Bis(trifluoromethylsulfonyl)amide
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242
Designing thermo-switchable nanochannel for nanofluidic controllable transportation,
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Flow-induced Morphologies of Diblock Copolymer in a Cylindrical Tube Studied by Dissipative Particle Dynamics
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Enhanced Photocatalytic Activity in Anatase/TiO2(B) Core-Shell Nanofiber
期刊论文
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