How to handle components that are not present in the system during simulation
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As the title suggests, I originally wanted to simulate the temperature distribution inside a tower, but lacked the necessary parameters. As a fallback, I thought of simulating the boiling point under a certain composition, yet I was still told that parameters were missing. For example, in ASPEN, there is the CAS information for dimethyl oxalate, but no interaction parameters are available. I tried to use a heat exchanger to simply simulate the boiling points of dimethyl oxalate, methanol, and water under reduced pressure, and attempted to use Unicace to estimate the missing parameters, but it was still not possible to carry out the simulation. Seeking guidance.
After using the Unifac equation, change the run type to property estimation to estimate a set of interaction parameters, and then proceed with the calculations. In many cases, it’s basically sufficient.