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What to do if it’s impossible to estimate the binary interaction parameter?

2016-01-12View Original

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When estimating the binary interaction parameters, the following warnings appeared: * WARNING IN PHYSICAL PROPERTY SYSTEM: THE FOLLOWING CONVENTIONAL COMPONENTS WERE NOT FOUND IN THE DATA BANK. CHECK THE NAMES OF THE DATA BANKS FOR SPELLING ERRORS. CID DATA BANK NAME: DEZHI; C4H6F2O2 * WARNING IN PHYSICAL PROPERTY SYSTEM: THE FUNCTIONAL GROUP GENERATION PROCESS FOR THE UNIFAC METHOD CANNOT BE COMPLETED FOR THE COMPONENT DEZHI. THE FOLLOWING ATOMS WAS NOT MATCHED: F 7, F 8. THE FUNCTIONAL GROUPS GENERATED ARE AS FOLLOWS: GROUP NUMBER, NUMBER OF OCCURRENCES: 1505, 1; 1010, 1; 1005, 1 * WARNING IN PHYSICAL PROPERTY SYSTEM: THE FUNCTIONAL GROUP GENERATION PROCESS FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED FOR THE COMPONENT DEZHI. THE FOLLOWING ATOMS WAS NOT MATCHED: F 7, F 8. THE FUNCTIONAL GROUPS GENERATED ARE AS FOLLOWS: GROUP NUMBER, NUMBER OF OCCURRENCES: 1505, 1; 1010, 1; 1005, 1 * WARNING IN PHYSICAL PROPERTY SYSTEM: THE FUNCTIONAL GROUP GENERATION PROCESS FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED FOR THE COMPONENT DEZHI. THE FOLLOWING ATOMS WAS NOT MATCHED: F 7, F 8. THE FUNCTIONAL GROUPS GENERATED ARE AS FOLLOWS: GROUP NUMBER, NUMBER OF OCCURRENCES: 1505, 1; 1010, 1; 1005, 1 * WARNING IN PHYSICAL PROPERTY SYSTEM: THE FUNCTIONAL GROUP GENERATION PROCESS FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED FOR THE COMPONENT DEZHI. THE FOLLOWING ATOMS WAS NOT MATCHED: F 7, F 8. THE FUNCTIONAL GROUPS GENERATED ARE AS FOLLOWS: GROUP NUMBER, NUMBER OF OCCURRENCES: 1505, 1; 1010, 1; 1005, 1 * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DMSO AND DFEA CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DMSO AND 142A CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DMSO AND DEZHI CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DMF AND DFEA CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DMF AND 142A CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DMF AND DEZHI CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ. THE STRUCTURE FOR THE COMPONENT DFEA HAS NOT BEEN DEFINED. PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE THE MISSING PROPERTIES; PLEASE USE THE “STRUCTURES” SECTION TO DEFINE THE STRUCTURES OF THIS COMPONENT. * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DFEA AND 142A CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR DFEA AND DEZHI CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ. THE STRUCTURE FOR THE COMPONENT 142A HAS NOT BEEN DEFINED. PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE THE MISSING PROPERTIES; PLEASE USE THE “STRUCTURES” SECTION TO DEFINE THE STRUCTURES OF THIS COMPONENT. * WARNING IN PHYSICAL PROPERTY SYSTEM: THE PROP-NAME RENON VALUE FOR THE COMPONENT PAIR 142A AND DEZHI CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED, DUE TO MISSING INPUT PARAMETERS: STRUCTUR, GMUFR, GMUFQ. What should be done?
Reply #22016-01-26
There’s an issue with the setting of your functional groups; you need to try more

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