scholarly journals Surface Potential of MIBC at Air/Water Interface: a Molecular Dynamics Study

2012 ◽  
Vol 10 (0) ◽  
pp. 437-440 ◽  
Author(s):  
C. M. Phan ◽  
H. Nakahara ◽  
O. Shibata ◽  
Y. Moroi ◽  
C. V. Nguyen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Surface Potential ◽  
Water Interface ◽  
Air Water Interface

scholarly journals Surface Potential of the Air/Water Interface

2020 ◽  
Vol 69 (6) ◽  
pp. 519-528 ◽  
Author(s):  
Cuong V. Nguyen ◽  
Hiromichi Nakahara ◽  
Chi M. Phan
Keyword(s):  
Surface Potential ◽  
Water Interface ◽  
Air Water Interface

Behavior of β-Amyloid 1−16 at the Air−Water Interface at Varying pH by Nonlinear Spectroscopy and Molecular Dynamics Simulations

2011 ◽  
Vol 115 (23) ◽  
pp. 5873-5880 ◽  
Author(s):  
Abigail E. Miller ◽  
Poul B. Petersen ◽  
Christopher W. Hollars ◽  
Richard J. Saykally ◽  
Jan Heyda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nonlinear Spectroscopy ◽  
Water Interface ◽  
Air Water Interface ◽  
Β Amyloid ◽  
Dynamics Simulations

Molecular dynamics simulations predict an accelerated dissociation of H2CO3 at the air–water interface

2014 ◽  
Vol 16 (46) ◽  
pp. 25573-25582 ◽  
Author(s):  
Mirza Galib ◽  
Gabriel Hanna
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Carbonic Acid ◽  
Bulk Water ◽  
Water Interface ◽  
Air Water Interface ◽  
Dynamics Simulations ◽  
Dissociation Barrier

Ab initio molecular dynamics simulations of carbonic acid (H2CO3) at the air–water interface yield a lower dissociation barrier than in bulk water.

Molecular Dynamics Study of Surfactin Monolayer at the Air/Water Interface

2011 ◽  
Vol 115 (44) ◽  
pp. 12770-12777 ◽  
Author(s):  
Hong-Ze Gang ◽  
Jin-Feng Liu ◽  
Bo-Zhong Mu
Keyword(s):  
Molecular Dynamics ◽  
Water Interface ◽  
Air Water Interface

Molecular Dynamics Shows That Ion Pairing and Counterion Anchoring Control the Properties of Triflate Micelles: A Comparison with Triflate at the Air/Water Interface

Langmuir ◽  
2014 ◽  
Vol 30 (5) ◽  
pp. 1239-1249 ◽  
Author(s):  
Filipe S. Lima ◽  
Hernan Chaimovich ◽  
Iolanda M. Cuccovia ◽  
Dominik Horinek
Keyword(s):  
Molecular Dynamics ◽  
Ion Pairing ◽  
Water Interface ◽  
Air Water Interface

The influence of electrolytes on gaseous monolayers II. Ionized films

1955 ◽  
Vol 232 (1189) ◽  
pp. 159-172 ◽  
Keyword(s):  
Surface Potential ◽  
Quaternary Ammonium ◽  
Alkyl Chain ◽  
Electrolyte Concentration ◽  
Ammonium Ion ◽  
Water Interface ◽  
Ammonium Halides ◽  
Air Water Interface ◽  
Good Agreement ◽  
The Ideal

An equation of state for a charged monolayer spread on an aqueous solution of a 1:1 electrolyte at 20°C in the absence of cohesive interactions has been derived, namely II = 2 kT / A-A o + 6.10√ c cosh sinh -1 133/ A √ c 6.10√ c . It has been found to apply to soluble charged films at hydrocarbon/water interfaces. In the case of insoluble monolayers of both alkyl quaternary ammonium halides and sodium alkyl sulphates at the hydrocarbon/water interface there is evidence of considerable ( ~50 %) ion-pair association, and this appears to be even further enhanced at the air/water interface at least for sulphate films. Surface potentials, measured by both the radioactive electrode and vibrating plate condenser techniques have been found to be in good agreement. The surface potential of sulphate monolayers in contrast to the ideal behaviour of quaternary ammonium films has been found to be dependent not only on the electrolyte concentration and film area but also on the nature of the interface, the nature of the substrate and at the air/water interface on the chain length. This has been attributed to a reorientation of the film molecules at the interface. Differences in the surface potential behaviour of sulphate and quaternary ammonium films are explained by suggesting that whereas with the sulphate film restricted rotation about the C—O bond can lead to different configurations of the sulphate ion with respect to the alkyl chain, only one configuration is possible for the symmetrical quaternary ammonium ion. Surface potential evidence indicates that contrary to what has been suggested previously, sulphate monolayers are completely dissociated in the acid-base sense.

Sign in / Sign up

Export Citation Format

Share Document