2. Thermodynamic aspects
Predicting the nature of the products formed after two reagents come into contact is possible thanks to thermodynamic calculations using very well-fed and reliable databases. These calculations identify the products obtained as a function of the general conditions of the reaction studied (temperature, pressure, composition of the reactive mixture), but they do not predict the rates at which the reactions occur, and generally provide little information as to the reaction mechanisms.
What's more, even when a reaction is given as having to take place according to thermodynamic calculations, this is very often not the case in practice. The explanation, mentioned in the introduction, is kinetic and will be developed in the following...
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Thermodynamic aspects