请问我在物性模拟时老是说基团贡献法和原子不匹配怎么办? 我最近在模拟 pdo的回收 ,当中有一个中间产物是2- 异丙基 -1,3-二氧六烷,简称2id,在aspen数据库中物理性质不全,我用property 估算时可以出结果,但是结果都带叹号!请问怎么办啊 。模拟过程如下: * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE REICHENB METHOD CANNOT BE COMPLETED FOR COMPONENT 2ID. THE FOLLOWING ATOMS WERE NOT MATCHED: O 5 O 9 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 100 2 102 1 109 3 110 1 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE RUZICKA METHOD CANNOT BE COMPLETED FOR COMPONENT 2ID. THE FOLLOWING ATOMS WERE NOT MATCHED: C 4 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 219 1 188 2 100 2 101 1 102 1 211 2查看更多5个回答 . 5人已关注