无法估算二元相互作用参数，怎么办？

luckyyjjun · 发表于 1970-1-1 08:00:00

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 7  F 8

                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. 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 7  F 8

                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. 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 7  F 8

                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. 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 7  F 8

                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. 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

wangyizjz · 发表于 1970-1-1 08:00:00

楼主问题解决了吗？我也是遇到了相同的问题。