Molecular Simulations of the Structure and Dynamics of Water Confined between Alkanethiol Self-Assembled Monolayer Plates

2011 ◽  
Vol 115 (16) ◽  
pp. 4662-4670 ◽  
Author(s):  
Joshua P. Layfield ◽  
Diego Troya
Keyword(s):  
Molecular Simulations ◽  
Self Assembled Monolayer ◽  
Structure And Dynamics ◽  
Self Assembled

Experiments and Molecular Simulations to Study the Role of Coadsorption of Oil in Corrosion Inhibitor Films in Improving Corrosion Mitigation

CORROSION ◽  
10.5006/3606 ◽  
2020 ◽  
Vol 76 (11) ◽  
Author(s):  
Xueying Ko ◽  
Juan Dominguez Olivo ◽  
Bruce Brown ◽  
Srdjan Nešić ◽  
Sumit Sharma
Keyword(s):  
Aqueous Solution ◽  
Corrosion Inhibitor ◽  
Metal Surfaces ◽  
Laboratory Experiments ◽  
Field Experience ◽  
Molecular Simulations ◽  
Self Assembled Monolayer ◽  
Polar Head ◽  
Self Assembled

While both field experience and laboratory experiments have shown that the efficiency of adsorbed corrosion inhibitor films improves upon exposure of the aqueous solution to a hydrocarbon phase, a credible explanation of these results is lacking. Using a combination of experiments and molecular simulations, this study examines how exposure to oil molecules affects the nature of adsorbed corrosion inhibitor films on metal surfaces. It is found that oil molecules get coadsorbed in the corrosion inhibitor films, making them more hydrophobic, structurally more ordered, and well packed. Corrosion inhibitor molecules with a bulky polar head adsorb in nonplanar, cylinder-like morphologies. Coadsorption of oil molecules changes the morphology of these films to a planar self-assembled monolayer.

Molecular simulations of lysozyme adsorption on an electrically responsive mixed self-assembled monolayer

2020 ◽  
Vol 506 ◽  
pp. 144962 ◽  
Author(s):  
Yun Xie ◽  
Weiping Gong ◽  
Jiarui Jin ◽  
Zhenting Zhao ◽  
Zhanchao Li ◽  
...  
Keyword(s):  
Molecular Simulations ◽  
Self Assembled Monolayer ◽  
Lysozyme Adsorption ◽  
Self Assembled

Self-Assembled Fluid Phase Floating Membranes with Tuneable Water Interlayers

2019 ◽  
Author(s):  
Luke Clifton ◽  
Nicoló Paracini ◽  
Arwel V. Hughes ◽  
Jeremy H. Lakey ◽  
Nina-Juliane Seinke ◽  
...  
Keyword(s):  
Fluid Phase ◽  
Interlayer Thickness ◽  
Supported Bilayers ◽  
Self Assembled Monolayer ◽  
High Coverage ◽  
Nano Technology ◽  
Surface Distance ◽  
Potential Applications ◽  
Self Assembled ◽  
Coated Surfaces

<p>We present a reliable method for the fabrication of fluid phase unsaturated bilayers which are readily self-assembled on charged self-assembled monolayer (SAM) surfaces producing high coverage floating supported bilayers where the membrane to surface distance could be controlled with nanometer precision. Vesicle fusion was used to deposit the bilayers onto anionic SAM coated surfaces. Upon assembly the bilayer to SAM solution interlayer thickness was 7-10 Å with evidence suggesting that this layer was present due to SAM hydration repulsion of the bilayer from the surface. This distance could be increased using low concentrations of salts which caused the interlayer thickness to enlarge to ~33 Å. Reducing the salt concentration resulted in a return to a shorter bilayer to surface distance. These accessible and controllable membrane models are well suited to a range of potential applications in biophysical studies, bio-sensors and Nano-technology.</p><br>

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