Error analysis
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The binary parameters for the HOCETA information set (Dataset 1) related to the ESHOC model are retrieved from the SDF table. The table name for the ESHOC structure is not defined; therefore, PCES cannot use group-contribution methods to estimate the missing properties. Use the “Structures” section to define the structures for this component. The structure for the CH4 component has also not been defined, so PCES cannot use group-contribution methods to estimate its missing properties either. Use the “Structures” section to define its structure. * WARNING: In the physical property system, the upper bound for parameter ZC/Element 1 (Dataset 1) is violated for the TPP component, with a value of 0.51800, while the upper bound is 0.50000. * WARNING: In the physical property system, the absolute value of LN(TAU) is exceptionally large for the CH4 and H2 components in the Wilson model (Dataset 1). This may cause computational difficulties. * WARNING: Again, in the physical property system, the absolute value of LN(TAU) is exceptionally large for the CH4 and H2 components in the Wilson model (Dataset 1); this may lead to computational problems. Flowchart analysis: The calculation order for the flowchart is B2 B1 -> Calculations begin... *** SEVERE ERROR: In the physical property system, the ESHOC equation-of-state model lacks certain parameters: MUP is missing for the EMPOH component (Dataset 1). **** ERROR: Property parameter errors were encountered during the calculation of vapor mixture properties using the WILS-HOC option set for PHIMX! Calculations were stopped due to missing property parameters. Please advise on how to handle these errors that occur during simulation.
Running into the same issues as above -> Calculations begin... *** SEVERE ERROR IN PHYSICAL PROPERTY SYSTEM EQUATION OF STATE MODEL: The ESHOC model lacks certain parameters; MUP (for Dataset 1) is missing for component EDA. **** ERRORS RELATED TO PROPERTY PARAMETERS were encountered during the calculation of vapor mixture properties using the NRTL-HOC option in PHIMX! Calculations were stopped due to the lack of these property parameters. Could someone with expertise advise on how to resolve this?
The databank lacks the required physical property parameters, but you can try the following steps: 1 Add the missing parameters in Pro-Set, such as MUP. 2 Then draw the molecular formula of the substance and use Estimation to determine the properties of the added parameters