Air-water interface

samala nagaprasad reddy snpre... at
Mon Jul 25 13:32:29 UTC 2016

Hi cp2k users,

   I would like to study methanol at air-water interface. I have read few
publications on reactions at interfaces, done by using cp2k, I didn't get
idea to define air-water interface.
1) How can we define air-water interface?
2) interface means the area between the two surfaces, if we want to take
air-water interface, as my knowledge, we need to define air and water
layers separated by an interface, and we have to take methanol at interface.
3) how can we define air in our study?

I really appreciate if someone helps on this
Thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list