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The equilibrium constant of a chemical reaction is the value of its reaction quotient at chemical equilibrium, a state approached by a dynamic chemical system after sufficient time has elapsed at which its composition has no measurable tendency towards further change. For a given set of reaction conditions, the equilibrium constant is ...
The value of the equilibrium constant for the formation of a 1:1 complex, such as a host-guest species, may be calculated with a dedicated spreadsheet application, Bindfit: [4] In this case step 2 can be performed with a non-iterative procedure and the pre-programmed routine Solver can be used for step 3.
The Hammett equation predicts the equilibrium constant or reaction rate of a reaction from a substituent constant and a reaction type constant. The Edwards equation relates the nucleophilic power to polarisability and basicity. The Marcus equation is an example of a quadratic free-energy relationship (QFER). [citation needed]
An ICE table or RICE box or RICE chart is a tabular system of keeping track of changing concentrations in an equilibrium reaction. ICE stands for initial, change, equilibrium. It is used in chemistry to keep track of the changes in amount of substance of the reactants and also organize a set of conditions that one wants to solve with. [1]
The starting point for the collection of the substituent constants is a chemical equilibrium for which the substituent constant is arbitrarily set to 0 and the reaction constant is set to 1: the deprotonation of benzoic acid or benzene carboxylic acid (R and R' both H) in water at 25 °C. Scheme 1. Dissociation of benzoic acids
and is a useful measure for indicating how far from equilibrium a given reaction is. At equilibrium =, the ratio is always greater than zero. When the reaction is out of equilibrium, . If the reaction has a negative free energy, then <. For a uni-molecular reaction such as , where the net reaction rate is given by the reversible mass-action ratio:
However, the equilibrium constant will no longer be dimensionless and will have units of reciprocal concentration instead. The difference between the kinetic and thermodynamic derivations of the Langmuir model is that the thermodynamic uses activities as a starting point while the kinetic derivation uses rates of reaction.
The unifying principle is that the free energy of a system at equilibrium is the minimum possible, so that the slope of the free energy with respect to the reaction coordinate is zero. [1] [2] This principle, applied to mixtures at equilibrium provides a definition of an equilibrium constant.