Reactor Simulation

Discusses use of COCO, the process simulation and modelling software suite from AmsterCHEM, downloadable from http://www.cocosimulator.org

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Re: Reactor Simulation

Postby jasper » 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.
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Re: Reactor Simulation

Postby arvind.prasad » 07 August 2016, 13:56

jasper wrote:You can now, if you update your CORN using COCO UPdate (CUP). The syntax is f("compound name").

I have downloaded COCO 3. I tried using it to simulate a pfr for ammonia reaction. When I choose activity A, it gives and error says that the property is not avialable. On choosing F, I get an error while typing the equation itself. The error displayed is unknown token F.
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Re: Reactor Simulation

Postby jasper » 08 August 2016, 08:18

For activity to be available, please edit the property package and make sure activity coefficient is exposed.

Indeed there is an error parsing F. This is fixed now. The fix is in CORN 3.1.0.1, available via CUP. Thank you for reporting the issue.
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