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In theoretical chemistry, an energy profile is a theoretical representation of a chemical reaction or process as a single energetic pathway as the reactants are transformed into products. This pathway runs along the reaction coordinate , which is a parametric curve that follows the pathway of the reaction and indicates its progress; thus ...
The progression of the reaction from reactants (H+Hâ‚‚) to products (H-H-H), as well as the energy of the species that take part in the reaction, are well defined in the corresponding potential energy surface. Energy profiles describe potential energy as a function of geometrical variables (PES in any dimension are independent of time and ...
Energy profile diagram for kinetic versus thermodynamic product reaction. Thermodynamic reaction control or kinetic reaction control in a chemical reaction can decide the composition in a reaction product mixture when competing pathways lead to different products and the reaction conditions influence the selectivity or stereoselectivity.
Diagram of a catalytic reaction, showing the energy level as a function of the reaction coordinate. For a catalyzed reaction, the activation energy is lower.. In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway.
The Mollier enthalpy–entropy diagram for water and steam. The "dryness fraction", x , gives the fraction by mass of gaseous water in the wet region, the remainder being droplets of liquid. An enthalpy–entropy chart , also known as the H – S chart or Mollier diagram , plots the total heat against entropy, [ 1 ] describing the enthalpy of a ...
The reaction can be visualized using a reaction coordinate diagram to show the activation energy and potential energy throughout the reaction. Activated complexes were first discussed in transition state theory (also called activated complex theory), which was first developed by Eyring , Evans , and Polanyi in 1935.
Raised in California, Ginger Luckey Gaetz studied accounting at UC Santa Barbara, according to her LinkedIn profile. While enrolled, she served as a skipper on the school’s varsity sailing team.
The possible energy level of the material that provides the discrete energy values of all possible states in the energy profile diagram can be represented by solving the Hamiltonian of the system. This solution provides the corresponding energy eigenvalues and eigenvectors. Based on the energy eigenvalues, conduction band are the high energy ...