碳缺少物理属性参数，部分反应质量未守恒，无法完成各方法的功能组生成，原子未配平
本帖最后由 能动能不能动 于 2021-5-6 14:30 编辑问题：（1）各模块反应器的碳缺少物理属性参数（文献中提到，将Carbon设置为焦炭的唯一组成成分，在组分那块我设置碳为活性炭，固相）（2）部分反应的质量未守恒（生物质进料流量是文献已确定好的，脱挥发生成的各个成分也是按照质量分率来确定系数，化学方程式也是文献已明确给出的）
（3）无法完成UNIFAC，UNIF-LBY、UNIF-DMD，UNIF-R4方法的功能组生成，对于CO，CO2，N2，O2原子未配平（顺带一提，之前已对各组分进行了计算氢键，功能组方法统一选择了UNIFAC，组选择了各自对应的基团编号）
大概的问题及控制面板如下，请大佬们帮忙看看
**ERROR IN THE "STRUCTURES" PARAGRAPH WHICH BEGINS ON LINE 153
NO. OF BONDS DEFINED FOR ATOM 2 IS GREATER THAN THE ALLOWED
VALENCE OF 2.PLEASE CHECK THE GENERAL STRUCTURES INPUT FOR
COMPONENT CO.
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT CO.THE FOLLOWING ATOMS WERE NOT MATCHED:
C 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT O2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT CO2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1C 2O 3
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT N2.THE FOLLOWING ATOMS WERE NOT MATCHED:
N 1N 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT CO.THE FOLLOWING ATOMS WERE NOT MATCHED:
C 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT O2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT CO2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1C 2O 3
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT N2.THE FOLLOWING ATOMS WERE NOT MATCHED:
N 1N 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT CO.THE FOLLOWING ATOMS WERE NOT MATCHED:
C 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT O2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT CO2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1C 2O 3
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT N2.THE FOLLOWING ATOMS WERE NOT MATCHED:
N 1N 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT CO.THE FOLLOWING ATOMS WERE NOT MATCHED:
C 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT O2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1O 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT CO2.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 1C 2O 3
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT N2.THE FOLLOWING ATOMS WERE NOT MATCHED:
N 1N 2
* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE PARACHOR METHOD CANNOT BE COMPLETED
FOR COMPONENT CO.THE FOLLOWING ATOMS WERE NOT MATCHED:
O 2
THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBERNO. OF OCCUR. GROUP NUMBERNO. OF OCCUR.
108 1
MW AVAILABLE FOR COMPONENT C IS DIFFERENT FROM MW CALCULATED
FROM FORMULA (ATOMNO/NOATOM).CALCULATED VALUE IS USED.
AVAILABLE MW = 12.01070 CALCULATED MW = 16.04276
**ERROR IN THE "REACTIONS" PARAGRAPH WHICH BEGINS ON LINE 432
FIRST ID: R-8 SECOND ID: LHHW
REACTION NUMBER 1 IN REACTION R-8 DOES NOT SATISFY MASS
BALANCE. THE ABSOLUTE ERROR IS 29.594
CHECK STOICHIOMETRY/MOLECULAR WEIGHTS.
**ERROR IN THE "REACTIONS" PARAGRAPH WHICH BEGINS ON LINE 455
FIRST ID: R-10 SECOND ID: LHHW
REACTION NUMBER 1 IN REACTION R-10 DOES NOT SATISFY MASS
BALANCE. THE ABSOLUTE ERROR IS 36.031
CHECK STOICHIOMETRY/MOLECULAR WEIGHTS.
**ERROR IN THE "REACTIONS" PARAGRAPH WHICH BEGINS ON LINE 467
FIRST ID: R-11 SECOND ID: LHHW
REACTION NUMBER 1 IN REACTION R-11 DOES NOT SATISFY MASS
BALANCE. THE ABSOLUTE ERROR IS 6.0476
CHECK STOICHIOMETRY/MOLECULAR WEIGHTS.
**ERROR IN THE "REACTIONS" PARAGRAPH WHICH BEGINS ON LINE 495
FIRST ID: R-14 SECOND ID: LHHW
REACTION NUMBER 1 IN REACTION R-14 DOES NOT SATISFY MASS
BALANCE. THE ABSOLUTE ERROR IS-4.0318
CHECK STOICHIOMETRY/MOLECULAR WEIGHTS.
**ERROR IN THE "REACTIONS" PARAGRAPH WHICH BEGINS ON LINE 506
FIRST ID: R-15 SECOND ID: LHHW
REACTION NUMBER 1 IN REACTION R-15 DOES NOT SATISFY MASS
BALANCE. THE ABSOLUTE ERROR IS-4.0318
CHECK STOICHIOMETRY/MOLECULAR WEIGHTS.
**ERROR IN THE "REACTIONS" PARAGRAPH WHICH BEGINS ON LINE 517
FIRST ID: R-16 SECOND ID: LHHW
REACTION NUMBER 1 IN REACTION R-16 DOES NOT SATISFY MASS
BALANCE. THE ABSOLUTE ERROR IS-4.0318
CHECK STOICHIOMETRY/MOLECULAR WEIGHTS.
* WARNING IN THE "STREAM" PARAGRAPH WHICH BEGINS ON LINE 243
STREAM NAME: AIR
COMPONENT MASS FRACTIONS ARE NORMALIZED TO UNITY.
* WARNING WHILE CHECKING INPUT SPECIFICATIONS
BLOCK NAME: DEVOL MODEL NAME: RYIELD
PHYSICAL PROPERTY PARAMETER DHSFRM IS MISSING
FOR THE FOLLOWING COMPONENTS:
C
ABSENCE OF THIS PARAMETER WILL RESULT IN INCORRECT ENTHALPY RESULTS.
* WARNING WHILE CHECKING INPUT SPECIFICATIONS
BLOCK NAME: CSTR2 MODEL NAME: RCSTR
PHYSICAL PROPERTY PARAMETER DHSFRM IS MISSING
FOR THE FOLLOWING COMPONENTS:
C
ABSENCE OF THIS PARAMETER WILL RESULT IN INCORRECT ENTHALPY RESULTS.
* WARNING WHILE CHECKING INPUT SPECIFICATIONS
BLOCK NAME: CSTR3 MODEL NAME: RCSTR
PHYSICAL PROPERTY PARAMETER DHSFRM IS MISSING
FOR THE FOLLOWING COMPONENTS:
C
ABSENCE OF THIS PARAMETER WILL RESULT IN INCORRECT ENTHALPY RESULTS.
* WARNING WHILE CHECKING INPUT SPECIFICATIONS
BLOCK NAME: FBOARD1 MODEL NAME: RPLUG
PHYSICAL PROPERTY PARAMETER DHSFRM IS MISSING
FOR THE FOLLOWING COMPONENTS:
C
ABSENCE OF THIS PARAMETER WILL RESULT IN INCORRECT ENTHALPY RESULTS.
* WARNING WHILE CHECKING INPUT SPECIFICATIONS
BLOCK NAME: FBOARD2 MODEL NAME: RPLUG
PHYSICAL PROPERTY PARAMETER DHSFRM IS MISSING
FOR THE FOLLOWING COMPONENTS:
C
ABSENCE OF THIS PARAMETER WILL RESULT IN INCORRECT ENTHALPY RESULTS.
* WARNING WHILE CHECKING INPUT SPECIFICATIONS
BLOCK NAME: FBOARD3 MODEL NAME: RPLUG
PHYSICAL PROPERTY PARAMETER DHSFRM IS MISSING
FOR THE FOLLOWING COMPONENTS:
C
ABSENCE OF THIS PARAMETER WILL RESULT IN INCORRECT ENTHALPY RESULTS.
! Errors while processing input specifications
问题3已解决，点击“不需用物性估算功能”后控制面板就不显示对应问题的错误提示了。。。不知道这样会不会对后面的模拟有影响。。。。
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