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Enthalpy (/ ˈ ɛ n θ əl p i / ⓘ) is the sum of a thermodynamic system's internal energy and the product of its pressure and volume. [1] It is a state function in thermodynamics used in many measurements in chemical, biological, and physical systems at a constant external pressure, which is conveniently provided by the large ambient atmosphere.
In the field of computational chemistry, energy minimization (also called energy optimization, geometry minimization, or geometry optimization) is the process of finding an arrangement in space of a collection of atoms where, according to some computational model of chemical bonding, the net inter-atomic force on each atom is acceptably close to zero and the position on the potential energy ...
The concepts of Hess's law can be expanded to include changes in entropy and in Gibbs free energy, since these are also state functions. The Bordwell thermodynamic cycle is an example of such an extension that takes advantage of easily measured equilibria and redox potentials to determine experimentally inaccessible Gibbs free energy values.
Quantity (common name/s) (Common) symbol/s Defining equation SI unit Dimension Temperature gradient: No standard symbol K⋅m −1: ΘL −1: Thermal conduction rate, thermal current, thermal/heat flux, thermal power transfer
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.
Molecular mechanics potential energy function with continuum solvent. The following functional abstraction, termed an interatomic potential function or force field in chemistry, calculates the molecular system's potential energy (E) in a given conformation as a sum of individual energy terms.
In the context of chemistry, energy is an attribute of a substance as a consequence of its atomic, molecular, or aggregate structure. Since a chemical transformation is accompanied by a change in one or more of these kinds of structure, it is usually accompanied by a decrease, and sometimes an increase, of the total energy of the substances ...
Chemical energy is the energy that can be released when chemical substances undergo a transformation through a chemical reaction. Breaking and making chemical bonds involves energy release or uptake, often as heat that may be either absorbed by or evolved from the chemical system.