Molecular Dynamics : Salt dissolves in water 2. Improved.

A crystal of salt is dissolving in water. Sodium and chlorine ions are apart from the crystal and into water molecules. Finally the crystal cannot keep its formation.
Ions : BMH-Tosi-Fumi Potential
Water : SPC/E
Software : Molecula Numerica 0.21 (http://arlivre.ddo.jp/Physica/).

Category:

Science & Technology

Tags:

• Molecular
• Dynamics
• Physics
• Chemistry
• Simulation
• コンピュータ
• シミュレーション

[maciejwrotek]

so the sodium atom is not separated from chlorine atom by water dipoles ?

[habe36]

Thank you for your comment. You're correct in the case. I guess it would be more time to simulate in order to see the separation.

[maciejwrotek]

@habe36 So, the sodium atom should be separated from chlorine ?

[habe36]

@maciejwrotek, yep. The water molecule slip into NaCl to separate the ions in the room temperature.

[maciejwrotek]

@habe36 i thought metallic sodium reacts with water violently to form NaOH, or is it some kind of electron transfer thing.

[habe36]

@maciejwrotek Okay. The sodium of salt is ionized, Na+. The bonding mechanism of Na and Cl are ionic bonding. The energy level is much lower than metallic sodium. So the salt never reacts like metallic sodium with water.

[maciejwrotek]

@habe36 so sat is dissolved by whole NaCl particles and later even by atoms?

[maciejwrotek]

@habe36 ok,

[sexinisrael]

There is obviously not enough water! ^^ The salt does not dissolve!

[physicalKinetics]

very nice! i think i get the idea but it would be cool if you could make the water somewhat transparent