Thermodynamic integration

From SklogWiki
Revision as of 17:22, 5 March 2007 by Carl McBride (talk | contribs)
Jump to navigation Jump to search

Used to calculate the difference in the Helmholtz energy function between two states. The path must be continuous and reversible. One has a continuously variable energy function Uλ such that λ=0, Uλ=U0 and λ=1, Uλ=U

ΔA=A−A0=∫01dλ⟨∂Uλ∂λ⟩λ

where

Uλ=(1−λ)U0+λU.