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Born equation

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.[1][2]

where:

Derivation edit

The energy U stored in an electrostatic field distribution is:

 
Knowing the magnitude of the electric field of an ion in a medium of dielectric constant εr is   and the volume element   can be expressed as  , the energy   can be written as:
 
Thus, the energy of solvation of the ion from gas phase (εr =1) to a medium of dielectric constant εr is:
 

References edit

  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.

External links edit

  • aspects about this equation


born, equation, used, estimating, electrostatic, component, gibbs, free, energy, solvation, electrostatic, model, that, treats, solvent, continuous, dielectric, medium, thus, member, class, methods, known, continuum, solvation, methods, derived, born, displays. 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 1 2 D G N A z 2 e 2 8 p e 0 r 0 1 1 e 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 NA Avogadro constant z charge of ion e elementary charge 1 6022 10 19 C e0 permittivity of free space r0 effective radius of ion er dielectric constant of the solventDerivation editThe energy U stored in an electrostatic field distribution is U 1 2 e 0 e r E 2 d V displaystyle U frac 1 2 varepsilon 0 varepsilon r int bf E 2 dV nbsp Knowing the magnitude of the electric field of an ion in a medium of dielectric constant er is E z e 4 p e 0 e r r 2 displaystyle bf E frac ze 4 pi varepsilon 0 varepsilon r r 2 nbsp and the volume element d V displaystyle dV nbsp can be expressed as d V 4 p r 2 d r displaystyle dV 4 pi r 2 dr nbsp the energy U displaystyle U nbsp can be written as U 1 2 e 0 e r r 0 z e 4 p e 0 e r r 2 2 4 p r 2 d r z 2 e 2 8 p e 0 e 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 nbsp Thus the energy of solvation of the ion from gas phase er 1 to a medium of dielectric constant er is D G N A U e r U e r 1 z 2 e 2 8 p e 0 r 0 1 1 e 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 nbsp References edit Born M 1920 02 01 Volumen und Hydratationswarme der Ionen Zeitschrift fur Physik in German 1 1 45 48 Bibcode 1920ZPhy 1 45B doi 10 1007 BF01881023 ISSN 0044 3328 S2CID 92547891 Atkins De Paula 2006 Physical Chemistry 8th ed Oxford university press p 102 ISBN 0 7167 8759 8 External links editaspects about this equation nbsp This physical chemistry related article is a stub You can help Wikipedia by expanding it vte Retrieved from https en wikipedia org w index php title Born equation amp oldid 1083767607, wikipedia, wiki, book, books, library,

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