Re: Reactor Simulation
Posted: 04 March 2013, 08:06
On the long run CORN will probably become less useful as the version 1.1 thermo standard will allow integration of reaction and thermo. At this point reactions will be served by TEA, which makes it easier to deal with compounds (thermo compounds and reaction compounds will come from the same source) and with heat of formation.
Still - providing kinetic data is not so straightforward due to the large number of systems and the large diversity in formulations. This is probably something the user will still need to specify. Equilibrium data and heat of reaction on the other hand can be calculated from thermodynamic considerations.
CORN will remain to exist, to serve reactions for 1.0 thermo and for combination with thermo servers that do not include reactions.
All of this will have to wait until the new reaction interface specification for thermo 1.1 has been RFC'd and approved by CO-LaN. This is in the pipeline.
Still - providing kinetic data is not so straightforward due to the large number of systems and the large diversity in formulations. This is probably something the user will still need to specify. Equilibrium data and heat of reaction on the other hand can be calculated from thermodynamic considerations.
CORN will remain to exist, to serve reactions for 1.0 thermo and for combination with thermo servers that do not include reactions.
All of this will have to wait until the new reaction interface specification for thermo 1.1 has been RFC'd and approved by CO-LaN. This is in the pipeline.