24小时热门版块排行榜

>论坛更新日志 (4636)
>文献求助 (421)
>导师招生 (253)
>硕博家园 (243)
>基金申请 (233)
>虫友互识 (213)
>博后之家 (174)
>论文投稿 (132)
>休闲灌水 (106)
>考研 (88)
>招聘信息布告栏 (86)
>教师之家 (79)
>考博 (79)
>公派出国 (52)
>海外博后 (48)
>找工作 (38)

返回列表

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

yutian2398

金虫 (初入文坛)

应助: 0 (幼儿园)
金币: 939.4
帖子: 45
在线: 15.3小时
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

回复此楼