How can I find the equilibrium data for C4H2 (butadiyne)?
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In a recent simulation project involving an absorption tower, the key component is C4H2, and the solvent used for absorption is NMP (N-methylpyrrolidone). During the Aspen simulation, the absorption of C4H2 was poor, and increasing the number of trays did not help. I guess there are no equilibrium data for C4H2 in NMP in the Aspen database. How should I solve this problem?
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It can be done through phase equilibrium experiments! Measure the phase equilibrium data and then perform data regression using AspenPlus! Calculate the interaction parameters and use them as initial values for a simplified calculation, followed by a precise calculation! This might work better!
It would be great to be able to conduct experiments to obtain vapor-liquid equilibrium data, but we don’t have the necessary conditions for that at the moment. I’m very interested to know if there is any relevant literature available, both domestically and internationally, that we could use.
N-Methylpyrrolidinone, with the molecular formula C5H9NO and CAS No.: 872-50-4, has these physical properties recorded in the Aspen 11.1 database PURE11. Dicyacetylene, also known as diethylacetylene, has the molecular formula C4H2; its CAS number is 460-12-8. No physical properties for this substance are available in the database, so estimates must be used. Please search this technical discussion forum for posts on property estimation. Based on the estimation of the properties of dicyacetylene, a binary vapor-liquid equilibrium phase diagram can be drawn. The method is: Tools/Analysis/Property/Binary; in Analysis Type, select Txy to output the phase equilibrium diagram. Go! Although the estimates may not be exact, they serve as an important reference.
You can only use UNIFAC simulations; conducting experiments is rather difficult because alkynes are dangerous, making such experiments risky. If you want to obtain good results, my advice is to use the outcomes of actual simulations to adjust the parameters in ASPEN’s WILSON method until correct results are achieved, and then use these adjusted parameters for new simulations – provided that the operating conditions remain the same (similar temperature, pressure, and component concentrations)
It seems that Aspen is the only simulation software in the world that can connect to the DECHEMA database; you might want to give it a try
I tried to connect to the DECHEMA database today; haha, it’s charged! It costs dozens of euros. Maybe what was said on the 7th floor makes some sense after all; it’s difficult! This post was last edited by jackzhouzzq on 2009-4-10 21:43]