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In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities, such as bond length or bond angle. For example, in the homolytic dissociation of ...
In physics and engineering, a free body diagram (FBD; also called a force diagram) [1] is a graphical illustration used to visualize the applied forces, moments, and resulting reactions on a free body in a given condition. It depicts a body or connected bodies with all the applied forces and moments, and reactions, which act on the body(ies).
Figure 6:Reaction Coordinate Diagrams showing reactions with 0, 1 and 2 intermediates: The double-headed arrow shows the first, second and third step in each reaction coordinate diagram. In all three of these reactions the first step is the slow step because the activation energy from the reactants to the transition state is the highest.
In the theory of many-particle systems, Jacobi coordinates often are used to simplify the mathematical formulation. These coordinates are particularly common in treating polyatomic molecules and chemical reactions, [3] and in celestial mechanics. [4] An algorithm for generating the Jacobi coordinates for N bodies may be based upon binary trees. [5]
In this type of plot (Figure 1), each axis represents a unique reaction coordinate, the corners represent local minima along the potential surface such as reactants, products or intermediates and the energy axis projects vertically out of the page. Changing a single reaction parameter can change the height of one or more of the corners of the plot.
In chemistry, the Z-matrix is a way to represent a system built of atoms.A Z-matrix is also known as an internal coordinate representation.It provides a description of each atom in a molecule in terms of its atomic number, bond length, bond angle, and dihedral angle, the so-called internal coordinates, [1] [2] although it is not always the case that a Z-matrix will give information regarding ...
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The Damköhler numbers (Da) are dimensionless numbers used in chemical engineering to relate the chemical reaction timescale (reaction rate) to the transport phenomena rate occurring in a system. It is named after German chemist Gerhard Damköhler , who worked in chemical engineering, thermodynamics, and fluid dynamics. [ 1 ]
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