Hello,
if I have a substitution reaction as follows:
AB+CD--AC+BD
and I calculate the four systems isolated with Siesta, can I calculate the
enthalpy of such a reaction as stated by the Hess's law? Or there is any
subtlety?
Thanks in advance,
Roberto
If you have correwctly calculated all intial and finals states the answer is
yes!
On Fri, Jan 16, 2009 at 10:02 PM, Roberto Veiga roberto.ve...@ymail.comwrote:
Hello,
if I have a substitution reaction as follows:
AB+CD--AC+BD
and I calculate the four systems isolated with Siesta, can I
...
Roberto
From: N H neyh...@gmail.com
To: SIESTA-L@listserv.uam.es
Sent: Friday, January 16, 2009 10:11:41 PM
Subject: Re: [SIESTA-L] Hess's law
If you have correwctly calculated all intial and finals states the answer is
yes!
On Fri, Jan 16, 2009 at 10:02 PM
in the entropy. It is not that easy, I
guess...
Roberto
--
*From:* N H neyh...@gmail.com
*To:* SIESTA-L@listserv.uam.es
*Sent:* Friday, January 16, 2009 10:11:41 PM
*Subject:* Re: [SIESTA-L] Hess's law
If you have correwctly calculated all intial and finals
: [SIESTA-L] Hess's law
If the reaction is in gas phase u can use [A] = [A0] + RTln(p/p0) and this
should give u the chemical potential ... if u have solid reagents the chemical
potentials are not sensitive to the temperature, and I guess u dont have
anything in solution.
Best Regards
NH
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