能动能不能动 发表于 2021-5-5 16:14:36

Aspen中组分CO的结构尚未定义是什么意思？怎么解决？

本帖最后由 能动能不能动 于 2021-5-6 13:06 编辑

如题，设置的组分几乎全军覆没了
STRUCTURE FOR COMPONENT CO HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT O2 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT CO2 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT CH4 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT H2O HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT C6H6O HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT C10H8 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT C6H6 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT CH3OH HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT H2 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT C HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT N2 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES


能动能不能动 发表于 2021-5-5 16:14:36

这是文件，请大佬们帮忙看看，谢谢

tdl522 发表于 2021-5-5 16:14:36

可能未正确引用到数据库。

能动能不能动 发表于 2021-5-5 16:14:36

已解决，各组分计算氢键，再添加相应基团编号后就可解决未定义问题

奇偶按 发表于 2021-5-5 16:14:36

能动能不能动 发表于 2021-5-6 12:25
已解决，各组分计算氢键，再添加相应基团编号后就可解决未定义问题

请问怎么计算氢键再添加相应基团编号呢？

Torres2001 发表于 2021-5-5 16:14:36

同问 怎么计算氢键？

yzjie 发表于 2021-5-5 16:14:36

楼主威武！

WQL2022 发表于 2021-5-5 16:14:36

你好，我看见你之前在马后炮上询问ASPEN中为什么会出现CO结构未定义，你当时用计算氢键然后添加相应的基团编号是什么意思？怎么计算氢键啊?

Aspechhh 发表于 2021-5-5 16:14:36

楼主可以仔细讲一下这个过程吗，怎么计算氢键呢
页: [1]
查看完整版本: Aspen中组分CO的结构尚未定义是什么意思？怎么解决？