苯酚-4-磺酸物性估算

baha · 发表于 1970-1-1 08:00:00

我用aspen估算苯酚-4-磺酸的物性参数，只能估算出一部分，显示
*  WARNING
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT C6H6O4S.  THE FOLLOWING ATOMS WERE NOT MATCHED:
S 7  O 8  O 9
                  THE FUNCTIONAL GROUPS GENERATED
   GROUP NUMBER  NO. OF OCCUR.    GROUP NUMBER  NO. OF OCCUR.
         1105       4                1350       1
         1100       1                1200       1

苯酚-4-磺酸的分子结构如图：file:///C:\Users\Administrator\AppData\Roaming\Tencent\Users\153348130\QQ\WinTemp\RichOle\MITGQ1BEZT9Z54HVG2~11F5.png

sjssshl · 发表于 1970-1-1 08:00:00

谢谢楼主分享

edwardlau · 发表于 1970-1-1 08:00:00

物性确实是个头疼的问题啊

尤其是疑难物系

{:1106_369:}