单独模拟本菲尔脱碳没错的，导入hierarchy出物性警告

啊啊啊渣 · 发表于 1970-1-1 08:00:00

因为是参加比赛，所以不能有警告。没有办法，各位有没有遇到过这个情况，帮我看看

* WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR CH4 AND KHCO3
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR CH4 AND KHCO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND K+
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND H3O+
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND HCO3-
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND OH-
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND CO3-2
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND K2CO3
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND K2CO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND KHCO3
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR EC AND KHCO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

   STRUCTURE FOR COMPONENT K+ HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

   STRUCTURE FOR COMPONENT H3O+ HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

   STRUCTURE FOR COMPONENT HCO3- HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

   STRUCTURE FOR COMPONENT OH- HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

   STRUCTURE FOR COMPONENT CO3-2 HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

   STRUCTURE FOR COMPONENT K2CO3 HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3 AND K2CO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3 AND KHCO3
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3 AND KHCO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3 AND ACETA
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

   STRUCTURE FOR COMPONENT K2CO3S HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3S AND KHCO3
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3S AND KHCO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR K2CO3S AND ACETA
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

   STRUCTURE FOR COMPONENT KHCO3 HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR KHCO3 AND KHCO3S
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR KHCO3 AND ACETA
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

   STRUCTURE FOR COMPONENT KHCO3S HAS NOT BEEN DEFINED.
   PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
   USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PROP-NAME RENON FOR COMPONENT PAIR KHCO3S AND ACETA
   CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
   BECAUSE OF MISSING INPUT PARAMETERS:

      STRUCTUR, GMUFR , GMUFQ

chenhaijunsjy · 发表于 1970-1-1 08:00:00

女女收藏了~~

华歆 · 发表于 1970-1-1 08:00:00

谁告诉你说的模拟不能存在警告这样一刀切的话啊，晕！

啊啊啊渣 · 发表于 1970-1-1 08:00:00

华歆发表于 2015-6-15 12:50
谁告诉你说的模拟不能存在警告这样一刀切的话啊，晕！

因为考虑到三井杯好像说有警告要扣分，所以比较在意。我知道存在警告，可不可以忽略，要根据情况判断。

啊啊啊渣 · 发表于 1970-1-1 08:00:00

这个问题我解决了，把这个钩钩的点上就好。首先我是用aspen自带的ehotca和ehotcb模拟的。aspen的这两个自带bkp就是点了这个沟的。我看了警告，就是说碳酸钾的各个组分都是和那些有机组分没有交互参数，不能对unifac进行估算。缺少的是结果和。。。。我尝试加入k+的结构作尝试，失败。最后因为是aspen自带的包也是这样设置的，总有其考虑把。还有就是其他物质之间是没有问题的，结果也可用。我认为最好是点第三个，设置要估算的组分。

kbbjq · 发表于 1970-1-1 08:00:00

标记一下，性质估算中选择不估算任何参数。

单独模拟本菲尔脱碳没错的，导入hierarchy出物性警告

相关帖子