Transport Properties and Distribution of Water Molecules Confined in Hydrophobic Nanopores and Nanoslits

Langmuir ◽  
2004 ◽  
Vol 20 (16) ◽  
pp. 6921-6926 ◽  
Author(s):  
Yingchun Liu ◽  
Qi Wang ◽  
Linghong Lu
Keyword(s):  
Transport Properties ◽  
Water Molecules

Transport Properties of Single-File Water Molecules inside a Carbon Nanotube Biomimicking Water Channel

ACS Nano ◽  
2009 ◽  
Vol 4 (1) ◽  
pp. 205-210 ◽  
Author(s):  
Guangchao Zuo ◽  
Rong Shen ◽  
Shaojie Ma ◽  
Wanlin Guo
Keyword(s):  
Carbon Nanotube ◽  
Transport Properties ◽  
Water Channel ◽  
Water Molecules ◽  
Single File

scholarly journals Influence of Pore Size and Fatigue Loading on NaCl Transport Properties in C-S-H Nanopores: A Molecular Dynamics Simulation

Materials ◽  
2020 ◽  
Vol 13 (3) ◽  
pp. 700 ◽  
Author(s):  
Qingyu Cao ◽  
Yidong Xu ◽  
Jianke Fang ◽  
Yufeng Song ◽  
Yao Wang ◽  
...  
Keyword(s):  
Diffusion Coefficient ◽  
Pore Size ◽  
Transport Properties ◽  
Diffusion Rate ◽  
Chloride Ion ◽  
Fatigue Loading ◽  
Chloride Ions ◽  
Water Molecules ◽  
Ion Diffusion ◽  
Chloride Ion Diffusion

The transport properties of chloride ions in cement-based materials are one of the major deterioration mechanisms for reinforced concrete (RC) structures. This paper investigates the influence of pore size and fatigue loading on the transport properties of NaCl in C-S-H nanopores using molecular dynamics (MD) simulations. Molecular models of C-S-H, NaCl solution, and C-S-H nanopores with different pore diameters are established on a microscopic scale. The distribution of the chloride ion diffusion rate and the diffusion coefficient of each particle are obtained by statistically calculating the variation of atomic displacement with time. The results indicate that the chloride ion diffusion rate perpendicular to C-S-H nanopores under fatigue loading is 4 times faster than that without fatigue loading. Moreover, the diffusion coefficient of water molecules and chloride ions in C-S-H nanopores increases under fatigue loading compared with those without fatigue loading. The diffusion coefficient of water molecules in C-S-H nanopores with a pore size of 3 nm obtained from the MD simulation is 1.794 × 10−9 m2/s, which is slightly lower than that obtained from the experiment.

scholarly journals Transport properties of water molecules confined between hydroxyapaptite surfaces: A Molecular dynamics simulation approach

2017 ◽  
Vol 418 ◽  
pp. 296-301 ◽  
Author(s):  
Muthuramalingam Prakash ◽  
Thibault Lemaire ◽  
Devis Di Tommaso ◽  
Nora de Leeuw ◽  
Marius Lewerenz ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Transport Properties ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Simulation Approach

The Influence of Atmosphere on Electrical Transport Properties in Bilayer Graphene FET by CVD Methods

2012 ◽  
Vol 531-532 ◽  
pp. 383-387 ◽  
Author(s):  
Gang Peng ◽  
Xiao Yan Yu ◽  
Ying Qiu Zhou ◽  
Guang Wang ◽  
Li Wang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electrical Transport ◽  
Room Temperature ◽  
Dirac Point ◽  
Bilayer Graphene ◽  
Water Molecules ◽  
Ambient Atmosphere ◽  
Electrical Transport Properties ◽  
Desorption Process ◽  
Graphene Fet

The desorption process for ambient atmosphere on electrical transport properties of bilayer graphene FET grown by CVD methods on SiO2/Si substrate was investigated in room temperature. With increasing the vacuum time of the device underwent, we found that the voltage of Dirac point decreased, the mobility of hole (electron) increased and the charged impurity density decreased. The results suggest that the atmospheric adsorbates (mainly oxygen and water molecules) are strongly influence the electrical transport properties of graphene FET.

Spectroscopic Diagnostics of Tokamaks

1988 ◽  
Vol 102 ◽  
pp. 165-174
Author(s):  
C. de Michelis
Keyword(s):  
Transport Properties ◽  
Power Losses ◽  
Spectroscopic Diagnostics ◽  
Important Concern

AbstractImpurities being an important concern in tokamaks, spectroscopy plays a key role in their understanding. Techniques for the evaluation of concentrations, power losses and transport properties are surveyed, and a few developments are outlined.

Structure and Orientation of As Precipitates in LT-MBE Grown GaAs

1991 ◽  
Vol 49 ◽  
pp. 900-901 ◽  
Author(s):  
Alain Claverie ◽  
Zuzanna Liliental-Weber
Keyword(s):  
Transport Properties ◽  
Layer Thickness ◽  
Growth Temperature ◽  
Low Temperatures ◽  
Lattice Parameter ◽  
Crystalline Quality ◽  
Insulating Properties ◽  
Lt Gaas

GaAs layers grown by MBE at low temperatures (in the 200°C range, LT-GaAs) have been reported to have very interesting electronic and transport properties. Previous studies have shown that, before annealing, the crystalline quality of the layers is related to the growth temperature. Lowering the temperature or increasing the layer thickness generally results in some columnar polycrystalline growth. For the best “temperature-thickness” combinations, the layers may be very As rich (up to 1.25%) resulting in an up to 0.15% increase of the lattice parameter, consistent with the excess As. Only after annealing are the technologically important semi-insulating properties of these layers observed. When annealed in As atmosphere at about 600°C a decrease of the lattice parameter to the substrate value is observed. TEM studies show formation of precipitates which are supposed to be As related since the average As concentration remains almost unchanged upon annealing.

Sign in / Sign up

Export Citation Format

Share Document