The surface tension of TIP4P/2005 water model using the Ewald sums for the dispersion interactions

2010 ◽  
Vol 132 (1) ◽  
pp. 014701 ◽  
Author(s):  
José Alejandre ◽  
Gustavo A. Chapela
Keyword(s):  
Surface Tension ◽  
Water Model ◽  
Dispersion Interactions

A Liquid Water Model That Explains the Variation of Surface Tension of Water with Temperaure

2001 ◽  
Vol 40 (Part 1, No. 3A) ◽  
pp. 1467-1471 ◽  
Author(s):  
Arshad Khan ◽  
M. Rezwan Khan ◽  
M. Ferdouse Khan ◽  
Fahima Khanam
Keyword(s):  
Surface Tension ◽  
Liquid Water ◽  
Water Model

A stationary circular hydraulic jump, the limits of its existence and its gasdynamic analogue

2008 ◽  
Vol 601 ◽  
pp. 189-198 ◽  
Author(s):  
ASLAN R. KASIMOV
Keyword(s):  
Surface Tension ◽  
Hydraulic Jump ◽  
Stokes Equations ◽  
Critical Value ◽  
Water Model ◽  
Navier Stokes ◽  
Jump Conditions ◽  
Shallow Water Model ◽  
Finite Radius ◽  
Navier Stokes Equations

We propose a theory of a steady circular hydraulic jump based on the shallow-water model obtained from the depth-averaged Navier–Stokes equations. The flow structure both upstream and downstream of the jump is determined by considering the flow over a plate of finite radius. The radius of the jump is found using the far-field conditions together with the jump conditions that include the effects of surface tension. We show that a steady circular hydraulic jump does not exist if the surface tension is above a certain critical value. The solution of the problem provides a basis for the hydrodynamic stability analysis of the hydraulic jump. An analogy between the hydraulic jump and a detonation wave is pointed out.

scholarly journals Accurate Simulations of Lipid Monolayers Require a Water Model With Correct Surface Tension

2021 ◽  
Author(s):  
Carmelo Tempra ◽  
O.H. Samuli Ollila ◽  
Matti Javanainen
Keyword(s):  
Molecular Dynamics ◽  
Surface Tension ◽  
Molecular Dynamics Simulations ◽  
Long Range ◽  
Van Der Waals ◽  
Water Model ◽  
Lipid Monolayers ◽  
Experimental Surface ◽  
Water Models ◽  
Dynamics Simulations

Lipid monolayers provide our lungs and eyes their functionality, and serve as proxy systems in biomembrane research. Therefore, lipid monolayers have been studied intensively also using molecular dynamics simulations, which are able to probe their lateral structure and interactions with, e.g., pharmaceuticals or nanoparticles. However, such simulations have struggled in describing the forces at the air–water interface. Particularly the surface tension of water and long-range van der Waals interactions have been considered critical, but their importance in monolayer simulations has been evaluated only separately. Here we combine the recent C36/LJ-PME lipid force field that in- cludes long-range van der Waals forces with water models that reproduce experimental surface tensions to elucidate the importance of these contributions in monolayer simulations. Our results suggest that a water model with correct surface tension is necessary to reproduce experimental surface pressure–area isotherms and monolayer phase behavior, while standard cutoff-based CHARMM36 lipid model with the 4-point OPC water model still provides the best agreement with experiments. Our results emphasize the importance of using high quality water models in applications and parameter development in molecular dynamics simulations of biomolecules.

Drops climbing uphill on an oscillating substrate

2011 ◽  
Vol 674 ◽  
pp. 93-119 ◽  
Author(s):  
E. S. BENILOV ◽  
J. BILLINGHAM
Keyword(s):  
Surface Tension ◽  
Shallow Water ◽  
Water Model ◽  
Two Dimensional ◽  
Shallow Water Model ◽  
Inclined Plane ◽  
The Cross

Recent experiments by Brunet, Eggers & Deegan (Phys. Rev. Lett., vol. 99, 2007, p. 144501 and Eur. Phys. J., vol. 166, 2009, p. 11) have demonstrated that drops of liquid placed on an inclined plane oscillating vertically are able to climb uphill. In the present paper, we show that a two-dimensional shallow-water model incorporating surface tension and inertia can reproduce qualitatively the main features of these experiments. We find that the motion of the drop is controlled by the interaction of a ‘swaying’ (odd) mode driven by the in-plane acceleration and a ‘spreading’ (even) mode driven by the cross-plane acceleration. Both modes need to be present to make the drop climb uphill, and the effect is strongest when they are in phase with each other.

scholarly journals Role of the Counterions in the Surface Tension of Aqueous Surfactant Solutions. A Computer Simulation Study of Alkali Dodecyl Sulfate Systems

2020 ◽  
Vol 4 (2) ◽  
pp. 15 ◽  
Author(s):  
György Hantal ◽  
Marcello Sega ◽  
George Horvai ◽  
Pál Jedlovszky
Keyword(s):  
Surface Tension ◽  
Force Fields ◽  
Surface Concentration ◽  
Pressure Profile ◽  
Water Model ◽  
Model Combination ◽  
Neat Water ◽  
Surfactant Solutions ◽  
Dodecyl Sulfate ◽  
Dynamics Simulations

We have investigated the surface tension contributions of the counterions, surfactant headgroups and tails, and water molecules in aqueous alkali dodecyl sulfate (DS) solutions close to the saturated surface concentration by analyzing the lateral pressure profile contribution of these components using molecular dynamics simulations. For this purpose, we have used the combination of two popular force fields, namely KBFF for the counterions and GROMOS96 for the surfactant, which are both parameterized for the SPC/E water model. Except for the system containing Na+ counterions, the surface tension of the surfactant solutions has turned out to be larger rather than smaller than that of neat water, showing a severe shortcoming of the combination of the two force fields. We have traced back this failure of the potential model combination to the unphysically strong attraction of the KBFF counterions, except for Na+, to the anionic head of the surfactants. Despite this failure of the model, we have observed a clear relation between the soft/hard character (in the sense of the Hofmeister series) and the surface tension contribution of the counterions, which, given the above limitations of the model, can only be regarded as an indicative result. We emphasize that the obtained results, although in a twisted way, clearly stress the crucial role the counterions of ionic surfactants play in determining the surface tension of the aqueous surfactant solutions.

Immunoferritin localization of intracellular antigens in positively stained frozen sections

1978 ◽  
Vol 36 (2) ◽  
pp. 168-169
Author(s):  
K. T. Tokuyasu
Keyword(s):  
Surface Tension ◽  
Water Surface ◽  
Thin Layers ◽  
The Other ◽  
Positive Staining ◽  
Frozen Sections ◽  
The Past ◽  
Ultrathin Frozen Sections ◽  
Definition Of

During the past investigations of immunoferritin localization of intracellular antigens in ultrathin frozen sections, we found that the degree of negative staining required to delineate u1trastructural details was often too dense for the recognition of ferritin particles. The quality of positive staining of ultrathin frozen sections, on the other hand, has generally been far inferior to that attainable in conventional plastic embedded sections, particularly in the definition of membranes. As we discussed before, a main cause of this difficulty seemed to be the vulnerability of frozen sections to the damaging effects of air-water surface tension at the time of drying of the sections.Indeed, we found that the quality of positive staining is greatly improved when positively stained frozen sections are protected against the effects of surface tension by embedding them in thin layers of mechanically stable materials at the time of drying (unpublished).

The Critical Point Drying Method Applied to Scanning Electron Microscopy of L-929 Cells

1970 ◽  
Vol 28 ◽  
pp. 278-279
Author(s):  
Charles TurnbiLL ◽  
Delbert E. Philpott
Keyword(s):  
Electron Microscopy ◽  
Carbon Dioxide ◽  
Surface Tension ◽  
Critical Point ◽  
Freeze Drying ◽  
Attractive Alternative ◽  
Crystal Formation ◽  
Critical Point Drying ◽  
Time Required ◽  
Scanning Electron

The advent of the scanning electron microscope (SCEM) has renewed interest in preparing specimens by avoiding the forces of surface tension. The present method of freeze drying by Boyde and Barger (1969) and Small and Marszalek (1969) does prevent surface tension but ice crystal formation and time required for pumping out the specimen to dryness has discouraged us. We believe an attractive alternative to freeze drying is the critical point method originated by Anderson (1951; for electron microscopy. He avoided surface tension effects during drying by first exchanging the specimen water with alcohol, amy L acetate and then with carbon dioxide. He then selected a specific temperature (36.5°C) and pressure (72 Atm.) at which carbon dioxide would pass from the liquid to the gaseous phase without the effect of surface tension This combination of temperature and, pressure is known as the "critical point" of the Liquid.

The Use of Styrenes as Embedding Media for Electron Microscopy

1971 ◽  
Vol 29 ◽  
pp. 488-489
Author(s):  
Edward D. De-Lamater ◽  
Eric Johnson ◽  
Thad Schoen ◽  
Cecil Whitaker
Keyword(s):  
Electron Microscopy ◽  
Surface Tension ◽  
Ultraviolet Light ◽  
Methyl Ethyl Ketone Peroxide ◽  
Methyl Ethyl ◽  
Styrene Polymerization ◽  
Radical Initiation ◽  
Tertiary Butyl ◽  
Low Viscosity ◽  
Free Radical Initiation

Monomeric styrenes are demonstrated as excellent embedding media for electron microscopy. Monomeric styrene has extremely low viscosity and low surface tension (less than 1) affording extremely rapid penetration into the specimen. Spurr's Medium based on ERL-4206 (J.Ultra. Research 26, 31-43, 1969) is viscous, requiring gradual infiltration with increasing concentrations. Styrenes are soluble in alcohol and acetone thus fitting well into the usual dehydration procedures. Infiltration with styrene may be done directly following complete dehydration without dilution.Monomeric styrenes are usually inhibited from polymerization by a catechol, in this case, tertiary butyl catechol. Styrene polymerization is activated by Methyl Ethyl Ketone peroxide, a liquid, and probably acts by overcoming the inhibition of the catechol, acting as a source of free radical initiation.Polymerization is carried out either by a temperature of 60°C. or under ultraviolet light with wave lengths of 3400-4000 Engstroms; polymerization stops on removal from the ultraviolet light or heat and is therefore controlled by the length of exposure.

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