物性估算中出现一下问题，很困惑，谢谢各位解答

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file:///file:///
估算中一直出现警告，计算除C、H、O之外的都是出现以下警告，不知为什么，不知对结果有没有影响，文件已上传，谢谢各位解答*   WARNING IN PHYSICAL PROPERTY SYSTEM
      FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
      FOR COMPONENT TFE.  THE FOLLOWING ATOMS WERE NOT MATCHED:
      F 3  F 4  F 5  F 6

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

               1050          1

  *   WARNING IN PHYSICAL PROPERTY SYSTEM
      FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
      FOR COMPONENT TFE.  THE FOLLOWING ATOMS WERE NOT MATCHED:
      F 3  F 4  F 5  F 6

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

               1050          1

  *   WARNING IN PHYSICAL PROPERTY SYSTEM
      FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
      FOR COMPONENT TFE.  THE FOLLOWING ATOMS WERE NOT MATCHED:
      F 3  F 4  F 5  F 6

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

               1050          1

  *   WARNING IN PHYSICAL PROPERTY SYSTEM
      FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
      FOR COMPONENT TFE.  THE FOLLOWING ATOMS WERE NOT MATCHED:
      F 3  F 4  F 5  F 6

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

               1050          1

  *   WARNING IN PHYSICAL PROPERTY SYSTEM
      FUNCTIONAL GROUP GENERATION FOR THE ORRICK-E METHOD CANNOT BE COMPLETED
      FOR COMPONENT TFE.  THE FOLLOWING ATOMS WERE NOT MATCHED:
      F 3  F 4  F 5  F 6

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

                103          1                  100          2

->Property constant estimation completed

下载地址

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  物性估算-1410705557.bkp

  2014-9-14 22:39 大小：28.53 KB 下载次数：9

tdl522

PURE库是有该组分的，不需要估算。

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谢谢啊。我是举个例子，其他的化合物都太复杂，我找了一个简单的做个例子，输入带F的元素都这样，不知什么原因？