COS 组分的问题? 进行数据回归时用到COS,采用UNIFAC法回归,它是aspen中的常规组分,我就没有再增加别的参数,但运行老出现 STRUCTURE FOR COMPONENT COS HAS NOT BEEN DEFINED. PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT. 于是我 输入基团信息,也就是COS的分子式,COS是直线型的,结构为O=C=S, 1 S 2C double bond ,2C 3O double bond,但运行还是出现问题,如下: * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED FOR COMPONENT COS. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 C 2 O 3 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED FOR COMPONENT COS. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 C 2 O 3 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED FOR COMPONENT COS. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 C 2 O 3 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED FOR COMPONENT COS. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 C 2 O 3 不知道怎么解决,请高手指教!多谢!查看更多6个回答 . 5人已关注