I'm doing simulation of methanol carbonylation to produce acetic acid using ASPEN PLUS simulation software. So i have to choose the right thermodynamic method in ASPEN.
Do you have any ideas to recommend to me?
I heard that acetic acid makes dimer at certain temperature, so i have to use right method. But i don't know well.
Please Help me.
You will be ever responsible by simulation results of a simulator programm, because you feed the basic concepts to the program. This way I recomend you to read at least the program help to know the first choice you have to do, that is to choose the thermodynamiv model, that depend of the kind of substances you have. As in your case you have organic substances, you can choose from the various models: some models deals only with apolar substances, like propane, while others, like UNIQUAC, UNIFAC, Wilson, NRTL, and less sophisticate model consider the interaction of polar groups, like acidic, ketonic, alcoolic, etc.
I think that after the manual reading, it will better to know more about the model selectd by you, to do not strong mistakes and being resposible by those strage results. Consider everytime the uso of the model based on experimental data.
If there is any water in your system you will have to consider a model that can handle electrolytes. If dimerization is possilbe you will need to include the dimer as an independent molecule and will need all the thermodynamics to describe its formation.
Dear Moonssang,
I hope your problem is solved as this post is quite old. Nevertheless, a better way to find suitable thermodynamic property is to use Aspen Plus Method assistant. This will help you to determine the suitable method for the given process.
For acetic acid (which is a carboxylic acid), NRTL-HOC or WILS-NTH can be used.
Regards,
Bhautesh
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