Conditions for creating thin liquid layers at the contact surface of two other liquids
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CONDITIONS FOR CREATING THIN LIQUID LAYERS AT THE CONTACT SURFACE OF TWO OTHER LIQUIDS PowerPoint PPT Presentation


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Institute of Fundamental Technological Research Polish Academy of Sciences. CONDITIONS FOR CREATING THIN LIQUID LAYERS AT THE CONTACT SURFACE OF TWO OTHER LIQUIDS. Agnieszka Słowicka Zbigniew A. Walenta. Oil. Oil. Water. Oil. Water. Aim- Nanomaterials of structure as shown.

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CONDITIONS FOR CREATING THIN LIQUID LAYERS AT THE CONTACT SURFACE OF TWO OTHER LIQUIDS

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Institute of Fundamental Technological Research

Polish Academy of Sciences

CONDITIONS FOR CREATING THIN LIQUID LAYERSAT THE CONTACT SURFACE OF TWO OTHER LIQUIDS

Agnieszka Słowicka Zbigniew A. Walenta


Oil

Oil

Water

Oil

Water

Aim- Nanomaterials of structure as shown

The emulsion with thin layers of third substance

at the surface between oil and water

The structure of nanomaterial after removing

water and oil


Molecular Dynamics Simulation

Liquid – an ensemble of molecules

Interaction between molecules

Electrostatic interaction

van der Waals interaction

Coulomb potential

Lennard - Jones potential

The program „Moldy” by Keith Refson used for simulation.


Models of molecules and interactions

Molecule of water

Molecule of oil

Molecule of the third fluid

Diagram of the Lennard-Jones potential


Parameters of the Lennard-Jones potential

Oil

Water

O

+

+

H

H

180 amu

18 amu


t = 0 ps

t = 9 ps

t = 13 ps

Molecules of water = 1000

o

Diameter of the droplet ~

32

A

diameter of oil droplet

Oscilation period = 26 ps ~

average speed of molecules

Formation of water droplet in vacuum


Molecules of water = 7000

Molecules of oil = 1000

Diameter of oil droplet ~

t = 0 ps

t = 5 ps

t = 13 ps

Simulation of emulsification process

Temperature = 300 K


Temperature = 300 K

Molekules of water = 2614

Molekules of oil = 257

Molecules of

soap

= 252

o

20

A

Diameter of oil droplet ~

Simulation of three liquids

t = 0 ps

t =

48

ps

t = 123 ps


Conclusions

  • The molecular dynamics seems to be the best tool to simulate physical processes on a nanoscale in liquids.

  • Formation of water droplet in vacuum and oil droplet in water have been simulated successfully.

  • The addition of soap, expected to remain at the surface of oil, leads to destruction of oil droplets.

  • Now we look for other substances which would stay at the surface of the droplets and would not destroy them.


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