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Particles tend to move from higher chemical potential to lower chemical potential because this reduces the free energy. In this way, chemical potential is a generalization of "potentials" in physics such as gravitational potential. When a ball rolls down a hill, it is moving from a higher gravitational potential (higher internal energy thus ...
Chemical potential energy is a form of potential energy related to the structural arrangement of atoms or molecules. This arrangement may be the result of chemical bonds within a molecule or otherwise. Chemical energy of a chemical substance can be transformed to other forms of energy by a chemical reaction. As an example, when a fuel is burned ...
The concept of a potential energy surface for chemical reactions was first suggested by the French physicist René Marcelin in 1913. [18] The first semi-empirical calculation of a potential energy surface was proposed for the H + H 2 reaction by Henry Eyring and Michael Polanyi in 1931.
In simplest terms, a potential energy surface or PES is a mathematical or graphical representation of the relation between energy of a molecule and its geometry. The methods for describing the potential energy are broken down into a classical mechanics interpretation (molecular mechanics) and a quantum mechanical interpretation.
Chemical potential energy is a form of potential energy related to the structural arrangement of atoms or molecules. This arrangement may be the result of chemical bonds within a molecule or interactions between them. Chemical energy of a chemical substance can be transformed to other forms of energy by a chemical reaction.
The term force field characterizes the collection of parameters for a given interatomic potential (energy function) and is often used within the computational chemistry community. [50] The force field parameters make the difference between good and poor models.
In electrochemistry, the electrochemical potential (ECP), μ, is a thermodynamic measure of chemical potential that does not omit the energy contribution of electrostatics. Electrochemical potential is expressed in the unit of J / mol .
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.