墨舞苏仙 发表于 2014-5-27 13:12:48

三元液液相平衡数据回归

   Aspen PlusV7.0,回归三元体系液液相平衡数据,其中两相是完全不互溶的。回归的时候热力学方法选择NRTL方程,当输入实验数据,设置完全后,运行有结果,伴随着错误提示如下:
*   WARNING IN PHYSICAL PROPERTY SYSTEM
      PROP-NAME RENON FOR COMPONENT PAIR C24H51N AND HCL
      CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
      BECAUSE OF MISSING INPUT PARAMETERS:
         STRUCTUR, GMUFR   , GMUFQ
      STRUCTURE FOR COMPONENT HCL 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 HCL AND H2O
      CANNOT BE ESTIMATED USING THE UNIFAC METHOD AS SPECIFIED
      BECAUSE OF MISSING INPUT PARAMETERS:
         STRUCTUR, GMUFR   , GMUFQ

->Data Regression begins ...

BEGIN CASE R-1                                     TIME =      0.33
STARTING POINT                                          TIME:   0.33
DM-ITER:   1SSQ: 0.871910E+06REL CHANGE: 0.598E-01TIME:   0.36
DM-ITER:   2SSQ: 0.200318E+06REL CHANGE: 0.294E-01TIME:   0.38
DM-ITER:   3SSQ: 0.135918E+06REL CHANGE: 0.148E-01TIME:   0.38
DM-ITER:   4SSQ: 0.135767E+06REL CHANGE: 0.757E-02TIME:   0.38
DM-ITER:   5SSQ: 0.136433E+06REL CHANGE: 0.738E-02TIME:   0.38
DM-ITER:   6SSQ: 0.136944E+06REL CHANGE: 0.718E-02TIME:   0.38
DM-ITER:   7SSQ: 0.137407E+06REL CHANGE: 0.697E-02TIME:   0.38
DM-ITER:   8SSQ: 0.137820E+06REL CHANGE: 0.674E-02TIME:   0.39
DM-ITER:   9SSQ: 0.138186E+06REL CHANGE: 0.650E-02TIME:   0.39
DM-ITER:10SSQ: 0.138510E+06REL CHANGE: 0.627E-02TIME:   0.39
DM-ITER:11SSQ: 0.138798E+06REL CHANGE: 0.603E-02TIME:   0.39
DM-ITER:12SSQ: 0.139054E+06REL CHANGE: 0.581E-02TIME:   0.39
DM-ITER:13SSQ: 0.139283E+06REL CHANGE: 0.559E-02TIME:   0.39
DM-ITER:14SSQ: 0.139487E+06REL CHANGE: 0.537E-02TIME:   0.39
DM-ITER:15SSQ: 0.139670E+06REL CHANGE: 0.517E-02TIME:   0.39
DM-ITER:16SSQ: 0.139835E+06REL CHANGE: 0.497E-02TIME:   0.41
DM-ITER:17SSQ: 0.139984E+06REL CHANGE: 0.478E-02TIME:   0.41
DM-ITER:18SSQ: 0.140118E+06REL CHANGE: 0.460E-02TIME:   0.41
DM-ITER:19SSQ: 0.140240E+06REL CHANGE: 0.443E-02TIME:   0.41
*** MEASUREMENT ADJUSTMENT FAILED - BRITT-LUECKE IS LIKELY TO FAIL ***
BL-ITER:20SSQ: 0.140351E+06REL CHANGE: 0.426E-02TIME:   0.41
BL-ITER:21SSQ: 0.131723E+06REL CHANGE: 0.109E-02TIME:   0.41
BL-ITER:22SSQ: 0.157210E+06REL CHANGE: 0.138E-03TIME:   0.42
BL-ITER:23SSQ: 0.127141E+06REL CHANGE: 0.125E-03TIME:   0.42
BL-ITER:24SSQ: 0.164478E+06REL CHANGE: 0.338E-04TIME:   0.42
FINAL SSQ:   124076.
   *** CANNOT SATISFY CONSTRAINTS ***
**ERROR WHILE EXECUTING DRS CASE: "R-1"
      CONSTRAINTS CANNOT BE SATISFIED FOR THIS CASE.
STARTING POINT                                          TIME:   0.42
DM-ITER:   1SSQ: 0.648406E+05REL CHANGE:100.      TIME:   0.42
DM-ITER:   2SSQ: 0.613748E+05REL CHANGE: 0.420      TIME:   0.42
DM-ITER:   3SSQ: 0.800121E+05REL CHANGE: 0.907E-02TIME:   0.42
DM-ITER:   4SSQ: 0.787444E+05REL CHANGE: 0.175E-01TIME:   0.44
DM-ITER:   5SSQ: 0.770403E+05REL CHANGE: 0.169E-01TIME:   0.44
DM-ITER:   6SSQ: 0.761898E+05REL CHANGE: 0.817E-02TIME:   0.44
DM-ITER:   7SSQ: 0.742015E+05REL CHANGE: 0.157E-01TIME:   0.44
DM-ITER:   8SSQ: 0.722137E+05REL CHANGE: 0.150E-01TIME:   0.44
DM-ITER:   9SSQ: 0.709423E+05REL CHANGE: 0.727E-02TIME:   0.44
DM-ITER:10SSQ: 0.711921E+05REL CHANGE: 0.358E-02TIME:   0.44
DM-ITER:11SSQ: 0.717713E+05REL CHANGE: 0.177E-02TIME:   0.44
DM-ITER:12SSQ: 0.719625E+05REL CHANGE: 0.181E-02TIME:   0.45
DM-ITER:13SSQ: 0.724268E+05REL CHANGE: 0.189E-02TIME:   0.45
DM-ITER:14SSQ: 0.737256E+05REL CHANGE: 0.185E-02TIME:   0.45
DM-ITER:15SSQ: 0.772085E+05REL CHANGE: 0.179E-02TIME:   0.45
DM-ITER:16SSQ: 0.823774E+05REL CHANGE: 0.438E-03TIME:   0.45
DM-ITER:17SSQ: 0.841429E+05REL CHANGE: 0.846E-03TIME:   0.45
DM-ITER:18SSQ: 0.902847E+05REL CHANGE: 0.217E-03TIME:   0.45
*** MEASUREMENT ADJUSTMENT FAILED - BRITT-LUECKE IS LIKELY TO FAIL ***
BL-ITER:19SSQ: 0.919265E+05REL CHANGE: 0.554E-04TIME:   0.47
BL-ITER:20SSQ: 0.815024E+04REL CHANGE: 0.105E-02TIME:   0.47
BL-ITER:21SSQ: 0.786554E+04REL CHANGE: 0.191E-02TIME:   0.47
BL-ITER:22SSQ: 0.772906E+04REL CHANGE: 0.350E-02TIME:   0.47
BL-ITER:23SSQ: 0.869653E+04REL CHANGE: 0.566E-04TIME:   0.47
FINAL SSQ:   7476.58

   *** DRS CONVERGED IN   23 ITERATIONS,
    BUT CONSTRAINTS ARE NOT TIGHTLY CONVERGED ***
*   WARNING WHILE EXECUTING DRS CASE: "R-1"
      CONSTRAINTS NOT (TIGHTLY) 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
相平衡数据在附件,请大家帮我分析一下!!!

1044217749 发表于 2014-5-27 13:12:48

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