czczczcz 发表于 2019-9-10 08:49:50

手算的动力学参数

*WARNING
   AT Z =   0.39877E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.39894E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.39916E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.39949E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.39999E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.40074E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.40186E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.40355E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.40607E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.40986E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.41554E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.42407E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.43686E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.45604E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.48481E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.52797E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.59271E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.68982E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.83548E-04 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.10540E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.13817E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.18733E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.26107E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.37168E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.53760E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.78648E-03 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.11598E-02 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.17198E-02 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.25597E-02 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.38196E-02 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.57095E-02 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.85444E-02 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.12797E-01 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.19175E-01 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.28743E-01 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.43094E-01 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.64621E-01 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.96912E-01 :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.14535   :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.21800   :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.32698   :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.49045   :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.

*WARNING
   AT Z =   0.73566   :
   REACTION RATE IS GREATER THAN ZERO FOR REACTION (1) BUT
   REACTANT 'N-BUT-01' IS NOT PRESENT.POSSIBLE CAUSE:
   ZEROTH ORDER REACTANT NOT PRESENT.RATE IS SET TO ZERO.
感觉自己已经注意了动力学单位的问题，不知道还需要怎么改

55656937 发表于 2019-9-10 08:49:50

反应物不存在啊

czczczcz 发表于 2019-9-10 08:49:50

55656937 发表于 2019-9-16 17:16
反应物不存在啊

最后发现还是单位和一些小细节的问题

55656937 发表于 2019-9-10 08:49:50

细节决定成败啊
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