物性估算中出现一下问题,很困惑,谢谢各位解答
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 3F 4F 5F 6
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. 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 3F 4F 5F 6
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. 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 3F 4F 5F 6
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. 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 3F 4F 5F 6
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. 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 3F 4F 5F 6
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. OF OCCUR.
103 1 100 2
->Property constant estimation completed
PURE库是有该组分的,不需要估算。
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?
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