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How to supplement missing binary interaction parameters

2026-07-22View Original

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In ASPEN data, the two fluids are considered azeotropic, but in reality they are not. How can aziotic data be imported into Aspen in order to carry out process simulation?
Reply #22026-07-22
I have encountered this problem; the core issue is that ASPEN’s built-in binary interaction parameter library does not match the actual experimental data. The general approach to solving this issue is to manually enter the azeotrope data (azeotrope composition, azeotrope temperature) as experimental data, and use ASPEN’s Data Regression function to re-fit the binary interaction parameters. Specific suggestions: First, determine the azeotrope conditions: you need the accurate azeotopic temperature and the composition of the two phases (such as gas-liquid equilibrium data), which serve as the basis for fitting. Select an appropriate property method: For azeotropic systems, NRTL or UNIQUAC are generally suitable; Wilson is not sensitive to liquid-liquid phase separation, so NRTL is recommended as the preferred choice. Steps: In the Properties environment, create a new Data Set and enter the experimental data (such as T-x-y). Then go to Regression, specify the model to be used (NRTL), and let ASPEN automatically determine the missing binary interaction parameters. After regression, remember to check whether the residuals are reasonable. If the amount of data is small or there is only one point at the azeotrope temperature, multiple solutions may be obtained; in such cases, it is recommended to use values from literature or empirical knowledge to determine which parameter is more reasonable. Additionally, it is advisable to verify the separation efficiency of the parameters obtained from regression in process simulation to avoid deviations.

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