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Historically, the term 'free energy' has been used for either quantity. In physics, free energy most often refers to the Helmholtz free energy, denoted by A (or F), while in chemistry, free energy most often refers to the Gibbs free energy. The values of the two free energies are usually quite similar and the intended free energy function is ...
The atomic binding energy of the atom is the energy required to disassemble an atom into free electrons and a nucleus. [4] It is the sum of the ionization energies of all the electrons belonging to a specific atom. The atomic binding energy derives from the electromagnetic interaction of the electrons with the nucleus, mediated by photons.
which can be further processed to calculate the enthalpy of metal-ligand interaction. [20] [21] Although this example is between a metal and a ligand, it is applicable to any ITC experiment, regarding binding interactions. As a part of the analysis, a number of protons are required to calculate the solvent-independent thermodynamics. [15]
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.
In condensed phases (solutions), adsorption to a solid surface is a competitive process between the solvent (A) and the solute (B) to occupy the binding site. The thermodynamic equilibrium is described as Solvent (bound) + Solute (free) ↔ Solvent (free) + Solute (bound).
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 ...
When both temperature and pressure are held constant, and the number of particles is expressed in moles, the chemical potential is the partial molar Gibbs free energy. [1] [2] At chemical equilibrium or in phase equilibrium, the total sum of the product of chemical potentials and stoichiometric coefficients is zero, as the free energy is at a ...
Ligand efficiency is a measurement of the binding energy per atom of a ligand to its binding partner, such as a receptor or enzyme. [1]Ligand efficiency is used in drug discovery research programs to assist in narrowing focus to lead compounds with optimal combinations of physicochemical properties and pharmacological properties.