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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]
The Born equation is used to estimate Gibbs free energy of solvation of a gaseous ion. Recent simulation studies have shown that the variation in solvation energy between the ions and the surrounding water molecules underlies the mechanism of the Hofmeister series. [9] [1]
In thermodynamics, the Gibbs free energy (or Gibbs energy as the recommended name; symbol ) is a thermodynamic potential that can be used to calculate the maximum amount of work, other than pressure–volume work, that may be performed by a thermodynamically closed system at constant temperature and pressure.
The Edwards equation relates the nucleophilic power to polarisability and basicity. The Marcus equation is an example of a quadratic free-energy relationship (QFER). [citation needed] IUPAC has suggested that this name should be replaced by linear Gibbs energy relation, but at present there is little sign of acceptance of this change. [1]
This allows the approximation of Helmholtz free energy, which is the natural form of free energy from the Flory–Huggins lattice theory, to Gibbs free energy. ^ In fact, two of the sites adjacent to a polymer segment are occupied by other polymer segments since it is part of a chain ; and one more, making three, for branching sites, but only ...
Therefore, the energy of solvent reorganization can be calculated as being due to a hypothetical transfer and back transfer of a partial elementary charge according to the Marcus formula. Thus the reorganization energy for chemical redox reactions, which is a Gibbs free energy, is also a parabolic function of Δe of this hypothetical transfer ...
Forming solvent–solute attractions , in solvation. The value of the enthalpy of solvation is the sum of these individual steps: = +. Dissolving ammonium nitrate in water is endothermic. The energy released by the solvation of the ammonium ions and nitrate ions is less than the energy absorbed in breaking up the ammonium nitrate ionic lattice ...
Two types of PCMs have been popularly used: the dielectric PCM (D-PCM), in which the continuum is polarizable (see dielectrics), and the conductor-like PCM (C-PCM), in which the continuum is conductor-like, similar to the COSMO Solvation Model. [1] [2] The molecular free energy of solvation is computed as the sum of three terms: G sol = G es ...