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yutian2398

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虫号: 792052
注册: 2009-06-11
专业: 环境化工

[求助] 物性数据的估算

用Aspen模拟了一个物质，但是结果总是出现警告，
WARNING IN PHYSICAL PROPERTY SYSTEM
   FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
   FOR COMPONENT IPN.  THE FOLLOWING ATOMS WERE NOT MATCHED:
   C 11  N 12
                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. OF OCCUR.
            1400       1                1015       3
            1010       2                1000       2
  * WARNING IN PHYSICAL PROPERTY SYSTEM
   FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
   FOR COMPONENT IPN.  THE FOLLOWING ATOMS WERE NOT MATCHED:
   C 11  N 12
                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. OF OCCUR.
            1400       1                1035       2
            1025       2                1015       3
  * WARNING IN PHYSICAL PROPERTY SYSTEM
   FUNCTIONAL GROUP GENERATION FOR THE REICHENB METHOD CANNOT BE COMPLETED
   FOR COMPONENT IPN.  THE FOLLOWING ATOMS WERE NOT MATCHED:
   O 7
                     THE FUNCTIONAL GROUPS GENERATED
      GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. OF OCCUR.
            126       1                100       3
            109       3                111       2
            113       1

请各位高手帮帮忙啊，物质是异氟尔酮腈，化学名3-氰基-3,5,5-三甲基环己酮，先谢谢了

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