Hard models and synthesis

Two types of responses are of general interest in exploring a synthetic reaction the yield of the reaction and the selectivity, if more than one product can be formed. 

The yield can be expressed as an integral of the rate over time Yield = / (Rate) dt 

Selectivity is usually expressed as some function of the distribution of the products. If the products are interconvertible, selectivity can often be modelled by means of an equilibrium relation. If the products are formed by parallel irreversible reactions, the selectivity can often be described as a ratio of the different rates of formation. 

An overall rate expression for the formation of a product will take the form 

The observed (phenomenological) rate constant, will be a function of 

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