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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]
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 solvation energy (change in Gibbs free energy) is the change in enthalpy minus the product of temperature (in Kelvin) times the change in entropy. Gases have a negative entropy of solution, due to the decrease in gaseous volume as gas dissolves.
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, only relative free energy values, or changes in free energy, are physically meaningful. The free energy is the portion of any first-law energy that is available to perform thermodynamic work at constant temperature, i.e., work mediated by thermal energy. Free energy is subject to irreversible loss in the course of such work. [1]
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 ...
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 ...
The Poisson–Boltzmann equation can be applied to biomolecular systems. One example is the binding of electrolytes to biomolecules in a solution. This process is dependent upon the electrostatic field generated by the molecule, the electrostatic potential on the surface of the molecule, as well as the electrostatic free energy. [13]