Role of Surface Intramolecular Dynamics in the Efficiency of Energy Transfer in Ne Atom Collisions with an-Hexylthiolate Self-Assembled Monolayer†

2003 ◽  
Vol 107 (49) ◽  
pp. 10600-10607 ◽  
Author(s):  
Tianying Yan ◽  
N. Isa ◽  
K. D. Gibson ◽  
S. J. Sibener ◽  
William L. Hase
Keyword(s):  
Energy Transfer ◽  
Intramolecular Dynamics ◽  
Self Assembled Monolayer ◽  
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.

Dynamics of energy transfer and soft-landing in collisions of protonated dialanine with perfluorinated self-assembled monolayer surfaces

2014 ◽  
Vol 16 (43) ◽  
pp. 23769-23778 ◽  
Author(s):  
Subha Pratihar ◽  
Swapnil C. Kohale ◽  
Dhruv G. Bhakta ◽  
Julia Laskin ◽  
William L. Hase
Keyword(s):  
Experimental Study ◽  
Energy Transfer ◽  
Soft Landing ◽  
Self Assembled Monolayer ◽  
Self Assembled

Combined theoretical/experimental study on the collisions of protonated dialanine with a perfluorinated octanethiolate self-assembled monolayer (F-SAM) surface.

Mechanistic details of energy transfer and soft landing in ala2-H+ collisions with a F-SAM surface

2015 ◽  
Vol 17 (38) ◽  
pp. 24576-24586 ◽  
Author(s):  
S. Pratihar ◽  
N. Kim ◽  
S. C. Kohale ◽  
W. L. Hase
Keyword(s):  
Energy Transfer ◽  
Chem Phys ◽  
Chemical Dynamics ◽  
Soft Landing ◽  
Self Assembled Monolayer ◽  
Collisional Energy ◽  
Self Assembled ◽  
Dynamics Simulations ◽  
Collisional Energy Transfer ◽  
Phys Chem Chem Phys

Previous chemical dynamics simulations (Phys. Chem. Chem. Phys., 2014, 16, 23769–23778) were analyzed to delineate mechanistic details of collisional energy transfer and trapping/soft landing for collisions of N-protonated dialanine (ala2-H+) with a C8 perfluorinated self-assembled monolayer.

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