pengyx 发表于 2014-10-27 11:40:29

含盐及离子液体体系三元液液相平衡的回归模拟出错!欢迎讨论!

新手,最近在学习使用Aspen 做含盐及离子液体体系三元液液相平衡的回归模拟,参考了马友的方法,但是由于体系比较复杂,自己定义了离子液体,也按照电解质助手确定了相应的离子种类,但是运行的时候依旧出现以下的问题,希望各位马友帮忙看看,欢迎交流讨论!
<< Loading Simulation Engine 10:03:23 Mon Oct 27, 2014>>
->Processing input specifications ...
      THE PAIR PARAMETERS FOR ELECNRTL OPTION SET HAS BEEN RETRIEVED FROM
      DATABANK ENRTL-RK.
      INFORMATION
      PURE COMPONENT PARAMETERS FOR SOME COMPONENTS ARE RETRIEVED FROM
      DATABANK.THESE PARAMETERS ARE USED WITH THE ELECNRTL OPTION SET
      UNLESS YOU ENTER YOUR OWN PARAMETERS IN PROP-DATA PARAGRAPHS.
      PARAMETER PLXANT RETRIEVED FOR COMPONENT 3
      PARAMETER THRSWT(ELEMENT/3) RETRIEVED FOR COMPONENT 3
      PARAMETER CPAQ0 RETRIEVED FOR COMPONENT SO4--
*   WARNING IN PHYSICAL PROPERTY SYSTEM
      THE FOLLOWING CONVENTIONAL COMPONENTS WERE NOT IN A DATA BANK.
      CHECK DATA BANK NAMES FOR SPELLING.
      CID       DATA BANK NAME
      MBP       C8H15BF4N2
      STRUCTURE FOR COMPONENT 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 MBP 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 NA+ 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 SO4-- HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES
      USE THE STRUCTURES PARAGRAPH TO DEFINE STRUCTURES OF THIS COMPONENT.
->Data Regression begins ...

BEGIN CASE R-1                                     TIME =      0.02
STARTING POINT                                          TIME:   0.02
DM-ITER:   1SSQ: 0.523126E+08REL CHANGE: 0.145      TIME:   0.02
DM-ITER:   2SSQ: 0.502015E+08REL CHANGE: 0.340      TIME:   0.02
DM-ITER:   3SSQ: 0.496739E+08REL CHANGE:1.03      TIME:   0.02
DM-ITER:   4SSQ: 0.529450E+08REL CHANGE:32.5      TIME:   0.03
DM-ITER:   5SSQ: 0.547549E+08REL CHANGE: 0.970      TIME:   0.03
DM-ITER:   6SSQ: 0.548004E+08REL CHANGE: 0.236      TIME:   0.03
BL-ITER:   7SSQ: 0.548753E+08REL CHANGE: 0.773E-01TIME:   0.03
BL-ITER:   8SSQ: 0.451409E+12REL CHANGE: 0.579E-04TIME:   0.03
FINAL SSQ:0.517910E+08
   *** CANNOT SATISFY CONSTRAINTS ***
**ERROR WHILE EXECUTING DRS CASE: "R-1"
      CONSTRAINTS CANNOT BE SATISFIED FOR THIS CASE.
**ERROR WHILE EXECUTING DRS CASE: "R-1"
      DRS RESULTS DO NOT AGREE WITH THREE-PHASE FLASH RESULTS.
         - RERUN WITH A DIFFERENT SET OF PARAMETER INITIAL VALUES
         - RECHECK THE DATA IN THE DATA-GROUP PARAGRAPHS
         - CHECK STD-DEV FOR SPECIFICATIONS THAT ARE TOO LARGE
! Data regression completed with errors

lss1992 发表于 2014-10-27 11:40:29

楼主是怎么把离子液体输进去的,我做的模拟离子液体无法定义啊

huier 发表于 2014-10-27 11:40:29

遇到了同样的问题,谁会啊,求指教{:1106_361:}
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