Hi all,
I am trying to model a solvothermal process using Aspen Plus , but I cannot find the key compund ( Ammonium Heptamolybdate tetrahydrate (NH4)6Mo7O24,4H2O ) thermodynamic data in the software database nor in litterature.
Hello have you tried identifying the key compound using its CAS No.12027-67-7 or EC Number 234-722-4. Also have you considered its various 'other' names.
I usually use a rough search using the CAS number on the chemical book database site.....https://m.chemicalbook.com/CASEN_12027-67-7.htm
Create the component in Aspen Plus if you can obtain more data on it
Dear Noah Tibasiima , I ve tried considered searching using various names and CAS number, but without results.
Thanks for your reply
Create the component as a pseudo component if you can. The other alternative would be you get a database with the component and you add it to the Aspen Plus database, but that would require you to use a FORTRAN compiler to do so.
Thus my best advice, create the component using the properties available as for example given in https://m.chemicalbook.com/CASEN_12027-67-7.htm
Dear Mouad Hachhach ,
The following is my approach in this situation.
First of all, point out the most important properties for your process.
If the experimental data for them is available, , I would regress the parameters which is very easy and reliable.
If there is no data, I agree to Noah Tibasiima & you need to predict/ estimate the properties from what is known. The main basic input data required for estimation are, Molecular structure, MW and Boiling point. But always check the accuracy of prediction/ estimation with reference values.
Moreover, with experimental data, you do not need to draw the structure of the molecule. The values can be regressed for any component in Aspen database if I am not wrong!
Good luck :)
Best Regards,
Haneef
Dear Noah Tibasiima ans Haneef Shijaz
First I want to thank you for your suggestions,
And I already created new component with available data , which are boiling point and molar weight. However Aspen cannot predict the properties of that molecule since there is no estimation method that take the molybdenum in consideration.
Thank you again for your comments,
Good luck to you too
Regards,
Dear Mouad ,
What I meant is you to estimate using the USER DEFINED component wizard.
It asks for more details and you'd have to draw the structure in aspen plus for the compound you are in need. Please consider using it, for if you know the structure of the compound and a few other parameters it requests you can almost accurately estimate for it.
So use the USER DEFINED COMPONENT WIZARD not just mere Bpts
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