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How to estimate Henry’s constant parameters using Aspen?

2020-08-28View Original

Thread Content

Hello, seniors at Haichuan. I’m here again to ask some questions. Here’s the situation: I currently want to use ethylene carbonate (EC) as a solvent to absorb the products resulting from the oxidation of ethylene (these products include ethylene oxide EO, water, N2, Ar, O2, CH4, ethylene C2H4, ethane, CO2, formaldehyde, acetaldehyde, etc.). For simulation purposes, N2, Ar, O2, CH4, ethylene C2H4, ethane, and CO2 are set as Henry components; however, HENRY-1 does not provide the Henry constant parameters for these substances in relation to EC. And I can’t conduct experiments to determine their experimental data regarding EC, nor has anyone done such experiments and published articles on this topic. So, I was wondering if there’s a way to use Aspen’s built-in functions to predict the Henry’s law constant values for these substances and EC? Or is it possible to calculate their Henry’s constant parameters by hand? As shown in the figure, these are the parameter values provided by the system after setting the aforementioned components as Henry components; it can be seen that there are parameters only for it and H2O, with no parameters for EC. The simulation currently requires these parameters to proceed, and I would be extremely grateful if any of you could offer assistance; payment is also acceptable. I am online on the forum at all times and look forward to a reply.
Reply #22020-08-29
Which senior could give me some advice? I am extremely grateful
Reply #32020-09-04
Can the unifac group contribution method be used to obtain the predicted HENRY constant? For details, please refer to the Aspen user guide and the accompanying help files.
Reply #42020-09-04
Hello, it seems that it’s not possible to predict the Henry constant directly; only thermodynamic model parameters such as NRTL can be predicted. So I tried to use the UNIFAC model to predict the overall binary interaction parameter for NRTL, then used this binary parameter in FLASH2 flash simulation to obtain vapor-liquid equilibrium data, and subsequently used these data to regress the Henry constant. But the result was pretty poor :'(

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