AhR=-35kJ/mol example of a reaction in which the number of moles of products is different from the number of moles of reactants. The heat of reaction is of the same order of magnitude as the molar heat of vaporization of the participating components. It can be seen that computational results and the experimental points fit well.
This program is a result of the first European project and has not (yet) been commercialized. However there are programs on the market that do the job at least partly. In many cases the results of these programs and the results cited above will agree. Some of the major companies have in-house tools suitable for RD. It is an open question if a rate-based approach as in Designer is really necessary. There are many examples where RD can be simulated adequately with an equilibrium model for thermodynamics.
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