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where ln denotes the natural logarithm, is the thermodynamic equilibrium constant, and R is the ideal gas constant.This equation is exact at any one temperature and all pressures, derived from the requirement that the Gibbs free energy of reaction be stationary in a state of chemical equilibrium.
There are two approaches to the calculation of the unknown molar absorptivities (1) The ε values are considered parameters of the minimization and the Jacobian is constructed on that basis. However, the ε values themselves are calculated at each step of the refinement by linear least-squares:
The concentration of the species LH is equal to the sum of the concentrations of the two micro-species with the same chemical formula, labelled L 1 H and L 2 H. The constant K 2 is for a reaction with these two micro-species as products, so that [LH] = [L 1 H] + [L 2 H] appears in the numerator, and it follows that this macro-constant is equal ...
The expression of the rate equations was rediscovered independently by Jacobus Henricus van 't Hoff. The law is a statement about equilibrium and gives an expression for the equilibrium constant, a quantity characterizing chemical equilibrium. In modern chemistry this is derived using equilibrium thermodynamics.
The use of k atomic element conservation equations for the mass constraint is straightforward, and replaces the use of the stoichiometric coefficient equations. [19] The results are consistent with those specified by chemical equations. For example, if equilibrium is specified by a single chemical equation:, [24]
Equilibrium chemistry is concerned with systems in chemical equilibrium. 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.
In organic chemistry, the Hammett equation describes a linear free-energy relationship relating reaction rates and equilibrium constants for many reactions involving benzoic acid derivatives with meta- and para-substituents to each other with just two parameters: a substituent constant and a reaction constant.
These calculations find application in many different areas of chemistry, biology, medicine, and geology. For example, many compounds used for medication are weak acids or bases, and a knowledge of the p K a values, together with the octanol-water partition coefficient , can be used for estimating the extent to which the compound enters the ...