聚碳酸酯模拟
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/ELEMENT1 (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 OF30000 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-SEPModel: 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？
交互作用参数缺失么？是不是数据库数据不全啊 这个模拟解决了嘛
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