啊啊啊渣 发表于 2015-6-14 22:18:50

单独模拟本菲尔脱碳没错的，导入hierarchy出物性警告

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 2015-6-14 22:18:50

女女收藏了~~

华歆 发表于 2015-6-14 22:18:50

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 2015-6-14 22:18:50

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 2015-6-14 22:18:50

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 2015-6-14 22:18:50

标记一下，性质估算中选择不估算任何参数。
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