Gibbs and Helmontz Free Energy
- From: Teodorico Ramalho <teo_at_epq.ime.eb.br>
- Subject: Gibbs and Helmontz Free Energy
- Date: Tue, 28 Oct 2003 14:46:46 +0000
Dear CCl 's
I Have used the SCAAS (Surface Constraint All-Atom Solvent) model to
calculate the Free energy of solvation through FDTI model in InsightII
program. This mean that I use an ensemble (NVT). The values obtained
are
either Helmotz or Gibbs free energy ? I guess, the values should be of
Helmontz free energy. Could I to compare my results with experimental
data (free energy of Gibbs). In other way, which would it be correction
factor?
Could anyone help me about this?
Thanks very much,
Teodorico