Regarding liquid-liquid separation

When using the Aspen and PROII software to simulate liquid-liquid separation, significant differences in the results obtained may be due to variations in the selection of property models, parameter settings, or calculation methods. You mentioned the use of the NRTL model, which is a non-random two-liquid model suitable for describing the activity coefficients of components in non-ideal solutions. 1. **Check physical property parameters**: First, verify whether the same binary interaction parameters are used in both software versions. The NRTL model requires accurate binary interaction parameters to predict liquid-phase behavior, and it is essential to ensure that these parameters remain consistent across the two software systems. 2. **Check model settings**: Compare the specific settings of the models in the two software programs, including whether operating conditions such as temperature and pressure are identical. 3. **Simulation method**: Observe whether there are differences in the iterative solution methods of the two software; different solvers may affect the results. 4. **Experimental verification**: If conditions permit, experimental data can be used to verify the accuracy of the simulation results and further calibrate the model. 5. **Software Support**: Consult the software’s technical support team; there may be known issues specific to the software or existing suggestions for fixes. Generally, due to differences in software kernels and algorithms, the simulation results of different software programs may vary. Ensuring that all input parameters and model assumptions are as consistent as possible can help reduce differences in the results. At the same time, it is also possible to consider using third-party data or corresponding data from literature for comparison and verification. .