How can the validity of the process simulation results for an azeotropic system be determined?
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I am currently learning how to perform simulation calculations for the separation in water-alcohol systems. Aspen Plus, as well as various property estimation methods such as IDEAL, NRTL, and UNIFAC, can be used for such simulations. I’m not sure how to determine whether the results are reasonable I would appreciate some guidance from experts, thank you!
You need to look up some literature for comparison. Generally, research or experiments are conducted before simulation to obtain some data.
Thank you! Could you provide some specific directions as far as you know?
First, see what type of system the equations you have chosen are suitable for; each equation has a suitable application area, as explained in the ASPEN user instructions.
Before performing the simulation, first conduct an atmospheric pressure azeotropy analysis of this system using the thermodynamic method you have chosen, to see whether the data obtained from the software are consistent with those presented in the literature. The thermodynamic method whose calculation results are closest to those in the literature can be considered suitable. If conditions permit, after creating the phase diagram, compare it with data from literature, or directly use experimental data to regress the binary interaction parameters.
Thank you to the experts in the above floors for their help, especially Robertwu on floor 6 for his guidance! My system is water-isopropanol-MIBK-DIBK. There are few studies in the literature that compare industrial data with simulation results.