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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.
Free energy relationships establish the extent at which bond formation and breakage happen in the transition state of a reaction, and in combination with kinetic isotope experiments a reaction mechanism can be determined. Free energy relationships are often used to calculate equilibrium constants since they are experimentally difficult to ...
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 ...
This equation quickly enables the calculation of the Gibbs free energy change for a chemical reaction at any temperature T 2 with knowledge of just the standard Gibbs free energy change of formation and the standard enthalpy change of formation for the individual components. Also, using the reaction isotherm equation, [8] that is