Dear all,
I would like to know if there is a convention of calculating or determining the number of water molecules in a liquid solution of a given pH-value.
As for an acidic solution of pH=4, we can calculate pH = −log [H+]. How do I know specifically, the number of H-ions and Cl-ions as a ratio to the number of water molecules present?
If I want to use an array of water systems (2000, 4000, and 6000 water molecules) in my molecular dynamics simulation, how do I determine the exact amount of H- and Cl- ions for pH=5, and Na- and OH- ions for pH=9, for example?
Thanks for reading!