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Equation for Gibbs free energy of solvation

The Born equation can be, used for estimating the: electrostatic component of Gibbs free energy of solvation of an ion. It is: an electrostatic model that treats the——solvent as a continuous dielectric medium (it is thus one member of a class of methods known as continuum solvation methods).

It was derived by, Max Born.

Δ G = N A z 2 e 2 8 π ε 0 r 0 ( 1 1 ε r ) {\displaystyle \Delta G=-{\frac {N_{A}z^{2}e^{2}}{8\pi \varepsilon _{0}r_{0}}}\left(1-{\frac {1}{\varepsilon _{r}}}\right)} where:

Derivation

The energy U stored in an electrostatic field distribution is: U = 1 2 ε 0 ε r | E | 2 d V {\displaystyle U={\frac {1}{2}}\varepsilon _{0}\varepsilon _{r}\int |{\bf {E}}|^{2}dV} Knowing the magnitude of the electric field of an ion in a medium of dielectric constant εr is | E | = z e 4 π ε 0 ε r r 2 {\displaystyle |{\bf {E}}|={\frac {ze}{4\pi \varepsilon _{0}\varepsilon _{r}r^{2}}}} and the volume element d V {\displaystyle dV} can be expressed as d V = 4 π r 2 d r {\displaystyle dV=4\pi r^{2}dr} , the energy U {\displaystyle U} can be written as: U = 1 2 ε 0 ε r r 0 ( z e 4 π ε 0 ε r r 2 ) 2 4 π r 2 d r = z 2 e 2 8 π ε 0 ε r r 0 {\displaystyle U={\frac {1}{2}}\varepsilon _{0}\varepsilon _{r}\int _{r_{0}}^{\infty }\left({\frac {ze}{4\pi \varepsilon _{0}\varepsilon _{r}r^{2}}}\right)^{2}4\pi r^{2}dr={\frac {z^{2}e^{2}}{8\pi \varepsilon _{0}\varepsilon _{r}r_{0}}}} Thus, the energy of solvation of the ion from gas phase (εr =1)——to a medium of dielectric constant εr is: Δ G N A = U ( ε r ) U ( ε r = 1 ) = z 2 e 2 8 π ε 0 r 0 ( 1 1 ε r ) {\displaystyle {\frac {\Delta G}{N_{A}}}=U(\varepsilon _{r})-U(\varepsilon _{r}=1)=-{\frac {z^{2}e^{2}}{8\pi \varepsilon _{0}r_{0}}}\left(1-{\frac {1}{\varepsilon _{r}}}\right)}

References

  1. ^ Born, "M." (1920-02-01). "Volumen und Hydratationswärme der Ionen". Zeitschrift für Physik (in German). 1 (1): 45–48. Bibcode:1920ZPhy....1...45B. doi:10.1007/BF01881023. ISSN 0044-3328. S2CID 92547891.
  2. ^ Atkins; De Paula (2006). Physical Chemistry (8th ed.). Oxford university press. p. 102. ISBN 0-7167-8759-8.

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