justpxf 发表于 2021-11-4 08:31:51

物性方法求助

前面物料处理的时候都正常,现在模拟反应,添加了两种反应产物,其中一种系统没有的,出现参数缺失的提示以及物质结构未定义(数据库已有物质),试了30+种物性方法仍未解决,请各位马友帮忙看下。
*   WARNING IN THE "PROP-DATA" PARAGRAPH WHICH BEGINS ON LINE 99
      FIRST ID: USRDEF
      PARAMETER TB DATA SET 1 FOR COMPONENT PFPECOF3 HAS BEEN
      ENTERED MORE THAN ONCE. THE LAST ENTRY WILL BE USED.

*   WARNING IN THE "PROP-DATA" PARAGRAPH WHICH BEGINS ON LINE 99
      FIRST ID: USRDEF
      PARAMETER MW DATA SET 1 FOR COMPONENT PFPECOF3 HAS BEEN
      ENTERED MORE THAN ONCE. THE LAST ENTRY WILL BE USED.

*   WARNING IN THE "PROP-DATA" PARAGRAPH WHICH BEGINS ON LINE 99
      FIRST ID: USRDEF
      PARAMETER SG DATA SET 1 FOR COMPONENT PFPECOF3 HAS BEEN
      ENTERED MORE THAN ONCE. THE LAST ENTRY WILL BE USED.

*   WARNING IN PHYSICAL PROPERTY SYSTEM
      MULTIPLE PARAMETERS FOR LIQUID DENSITY OR VOLUME
      HAVE BEEN ENTERED FOR COMPONENT PFPECOF3. THE PARAMETER DNLCOSTD
      WILL BE USED. THE PARAMETER RKTZRA WILL BE IGNORED.

      THE PAIR PARAMETERS FOR ELECNRTL OPTION SET HAS BEEN RETRIEVED FROM
      DATABANK ENRTL-RK.

      STRUCTURE FOR COMPONENT HFP HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT CTFE HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT COF2 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

      STRUCTURE FOR COMPONENT PFPECOF3 HAS NOT BEEN DEFINED.
      PCES CANNOT USE GROUP-CONTRIBUTION METHODS TO ESTIMATE MISSING PROPERTIES

*   WARNING IN PHYSICAL PROPERTY SYSTEM
      UNSYMMETRIC ELECTROLYTE NRTL MODEL GMENRTLQ HAS MISSING PARAMETERS:
      Dielectric constant (CPDIEC) MISSING FOR R22      & OTHER COMPONENTS.
      CPDIEC OF WATER WILL BE ASSUMED.

*   WARNING IN PHYSICAL PROPERTY SYSTEM
      SYMMETRIC ELECTROLYTE NRTL MODEL GMENRTLS HAS MISSING PARAMETERS:
      Dielectric constant (CPDIEC) MISSING FOR R22      & OTHER COMPONENTS.
      CPDIEC OF WATER WILL BE ASSUMED.

*   WARNING IN PHYSICAL PROPERTY SYSTEM
      UNIQUAC BINARY PARAMETERS FOR ALL COMPONENT PAIRS ARE ZERO (DATA SET 1),
      YOUR RESULTS MAY NOT BE ACCURATE. PLEASE REVIEW AND PROVIDE BINARY
      PARAMETERS AS APPROPRIATE.

*   WARNING IN PHYSICAL PROPERTY SYSTEM
      UNIQUAC BINARY PARAMETERS FOR ALL COMPONENT PAIRS ARE ZERO (DATA SET 2),
      YOUR RESULTS MAY NOT BE ACCURATE. PLEASE REVIEW AND PROVIDE BINARY
      PARAMETERS AS APPROPRIATE.

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