无法估算二元相互作用参数，怎么办？
估算二元相互作用参数，出现如下警告：* WARNING IN PHYSICAL PROPERTY SYSTEM
THE FOLLOWING CONVENTIONAL COMPONENTS WERE NOT IN A DATA BANK.
CHECK DATA BANK NAMES FOR SPELLING.
CID DATA BANK NAME
DEZHI C4H6F2O2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT DEZHI.THE FOLLOWING ATOMS WERE NOT MATCHED:
F 7F 8
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. OF OCCUR.
1505 1 1010 1
1005 1
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT DEZHI.THE FOLLOWING ATOMS WERE NOT MATCHED:
F 7F 8
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. OF OCCUR.
1505 1 1010 1
1005 1
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT DEZHI.THE FOLLOWING ATOMS WERE NOT MATCHED:
F 7F 8
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. OF OCCUR.
1505 1 1010 1
1005 1
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT DEZHI.THE FOLLOWING ATOMS WERE NOT MATCHED:
F 7F 8
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. OF OCCUR.
1505 1 1010 1
1005 1
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DMSO AND DFEA
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DMSO AND 142A
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DMSO AND DEZHI
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DMF AND DFEA
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DMF AND 142A
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DMF AND DEZHI
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR CH4O AND DFEA
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR CH4O AND 142A
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR CH4O AND DEZHI
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
STRUCTURE FOR COMPONENT DFEA HAS NOT BEEN DEFINED.
PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DFEA AND 142A
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR DFEA AND DEZHI
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
STRUCTURE FOR COMPONENT 142A HAS NOT BEEN DEFINED.
PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.
* WARNING IN PHYSICAL PROPERTY SYSTEM
PROP-NAME RENON FOR COMPONENT PAIR 142A AND DEZHI
CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
BECAUSE OF MISSING INPUT PARAMETERS:
STRUCTUR, GMUFR , GMUFQ
怎么办
楼主问题解决了吗？我也是遇到了相同的问题。
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