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pka of silica type B

Posted: Fri Aug 16, 2019 11:10 am
by sofiane
Hello,
Silica exist in different type A, B and C. The difference between A and B is the purity, type B is more pure and contains less metals that deprotonate silanols. However type A is less pure and has higher acidity (pka 4-5). Literature indicates that pka of type B is higher but there isn't a value. I found in this article (J. Chem. Theory Compt. 8 (2012) 1037 https://pubs.acs.org/doi/abs/10.1021/ct2007154) a value of 8.5.
What do you think?
Thank you

Re: pka of silica type B

Posted: Fri Aug 16, 2019 2:06 pm
by Andy Alpert
The article that you linked to is using model building to calculate the pKa of silica; a deductive approach to science. Empirical observations then tell you how much of the model actually applies to the world. With that in mind, I note that any silica exhibits at least some degree of negative charge at a pH > 4, and frequently a considerable amount of it. This is true even of BEH-type silica-silicon hydride hybrid materials, albeit to a lesser extent than with pure silica.

Re: pka of silica type B

Posted: Sat Aug 17, 2019 3:26 pm
by sofiane
Thank you Mr Alpert.
I try to study the retention of a compounds in HILIC mode, it has 2 negative charge that depends of pH and a fixed positive charge.
Can I send you my interpretation in your private mail.
Thank you

Re: pka of silica type B

Posted: Sat Aug 17, 2019 8:32 pm
by Andy Alpert