Dhananjay wrote:
Hello all,
Will it be possible to calculate pH of the system just before and after
adding hydrogens ?
no, since you have no free H3O+ or OH- ions it is ill defined (log 0)
If yes then how to calculate it ?
Thanking you in advance.
--
Dhananjay
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David.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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