聚碳酸酯模拟

尹小小 · 发表于 2021-4-15 19:27:41

我做的是聚合反应模拟
->Processing input specifications ...

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   VAN KREVELEN PROPERTY ESTIMATION IS MISSING PARAMETER VALUES
   FOR GROUP NUMBER (161) IN SEGMENT T-BPA.
   THE ENTROPY OF FUSION HAS BEEN SET TO ZERO FOR THIS GROUP.

   THE GLASS TRANSITION FUNCTION HAS BEEN SET TO ZERO FOR THIS GROUP.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PARAMETER DCPLS/ELEMENT  1 (DATA SET 1)
   LOWER BOUND VIOLATED FOR COMPONENT DPC
   VALUE = -0.23693E+16, LOWER BOUND = -0.10000E+10

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   PARAMETER CPIG (DATA SET 1) FOR COMPONENT B-DPC:
   UNREASONABLE HEAT CAPACITY CALCULATED AT TEMPERATURE UPPER BOUND,
   VALUE =  0.20868E+09 J/KMOL-K.  VALUE SHOULD BE LESS THAN
   MAXIMUM ALLOWABLE VALUE =  0.24943E+08 J/KMOL-K.  PLEASE CHECK
   YOUR INPUT FOR THE CPIG PARAMETERS.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   NRTL BINARY PARAMETERS FOR ALL COMPONENT PAIRS ARE ZERO,
   YOUR RESULTS MAY NOT BE ACCURATE. PLEASE REVIEW AND PROVIDE BINARY
   PARAMETERS AS APPROPRIATE.

  * WARNING IN PHYSICAL PROPERTY SYSTEM
   MARK-HOUWINK VISCOSITY MODEL HAS MISSING PARAMETERS:
   THE CRITICAL MOLECULAR WEIGHT (CRITMW) IS MISSING FOR COMPONENT PC
   AN APPROXIMATE VALUE OF  30000 IS ASSUMED

  Flowsheet Analysis :

COMPUTATION ORDER FOR THE FLOWSHEET:
EST PREPOLY1 PREPOLY2 PREPOLY3 EVA EVA-SEP PHOH-SEP

->Calculations begin ...

Block: EST    Model: RCSTR

Block: PREPOLY1 Model: RCSTR

Block: PREPOLY2 Model: RCSTR

Block: PREPOLY3 Model: RCSTR

Block: EVA    Model: RPLUG
  *** SEVERE ERROR
   FORTRAN INVALID OPERATION ENCOUNTERED.

Block: EVA-SEP  Model: SEP

Block: PHOH-SEP Model: SEP

->Simulation calculations completed ...

这是控制面板上的提示，有两个警告，和一个模拟过程的严重警告，但是结果显示基本可用，有什么解决方案吗？

542925680 · 发表于 2021-4-15 19:27:41

交互作用参数缺失么？是不是数据库数据不全啊

45465496 · 发表于 2021-4-15 19:27:41

这个模拟解决了嘛