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xindali

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虫号: 1420052
注册: 2011-09-27
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专业: 金属基复合材料

[求助] CHENKIN4.1运行模型出错

在chemkin运行模型中老是出现这个问题（就是下面下划线的地方两处，是什么原因造成的），能否帮我看一下？感激不尽！

         KEYWORD INPUT

      COTV ! Constrain Volume And Temperature
      TGIV ! Fix Gas Temperature
  WARNING... OTHER GAS-ENERGY RELATED PROBLEM TYPE HAS
BEEN GIVEN, THEY WILL BE MODIFIED OR OVERWRITTEN BY  THIS KEYWORD
      TRAN ! Transient Solver
      !Surface_Temperature ! Surface Temperature Same as Gas Temperature
      PRES 22.0 ! Pressure (atm)
      TEMP 898.0 ! Temperature (K)
      VOL 30.0 ! Volume (cm3)
      REAC CH4 3.49 ! Reactant Fraction (mole fraction)
      REAC CO 29.07 ! Reactant Fraction (mole fraction)
      REAC CO2 46.51 ! Reactant Fraction (mole fraction)
      REAC H2 3.49 ! Reactant Fraction (mole fraction)
      REAC H2O(G) 17.44 ! Reactant Fraction (mole fraction)
      TIME 3600.0 ! End Time (sec)
      END
  CAUTION...REACTANT MOLE FRACTIONS SUM TO 100.000000000000
      MOLE FRACTIONS WILL BE NORMALIZED.

========================================================================================================================
   KINETICS MECHANISM:
      Total number of gas phase species    = 9
      Total number of gas phase reactions    = 5
      Total number of surface materials = 1

      Material:  MATERIAL1
      Total number of surface phase species = 0
      Total number of surface phases = 0
      Total number of bulk phase species = 0
      Total number of bulk phases = 0
      Total number of surface phase reactions = 0
========================================================================================================================

========================================================================================================================
                           PSPRNT: Printing of current solution from DDASPK:
========================================================================================================================

DDASPK Transient Solution at Time = 0.0000E+00 seconds

            CHARACTERISTIC TIME          0.0000E+00  SEC
            MASS FLOW RATE                0.0000E+00  GM/SEC
            PRESSURE                      22.00    ATM
            MASS DENSITY                9.6684E-03  GM/CM^3
            VOLUME                         30.00    CM^3
            TOTAL MASS                   0.2901    G
            TOTAL SURFACE AREA             0.000    CM^2
            TOTAL SURFACE TO VOLUME RATIO 0.000    CM-1
            GAS CHEM HEAT PRODUCTION    -2.1260E+30  CAL/S/CM^3
            TEMPERATURE (FIXED)          898.0    K
            SURF TEMP, MATERIAL1          898.0000  K  (same as gas temp)

REACTOR GAS PHASE MOLE FRACTIONS

H             = 0.000          H2             =  3.4900E-02    CH4          =  3.4900E-02
CH3          = 0.000          CH2          = 0.000          CH             = 0.000
CO             =  0.2907          CO2          =  0.4651          H2O(G)       =  0.1744

Unburned Hydrocarbons    (ppm):  3.4900E+04

========================================================================================================================

DASPK--  AT T (=R1) AND STEPSIZE H (=R2) THE                                        In above,  R1 =  0.1398156691123D-31 R2 =  0.2685783360653D-32  DASPK--  ERROR TEST FAILED REPEATEDLY OR WITH ABS(H)=HMIN

========================================================================================================================
                           PSPRNT: Printing of current solution from DDASPK:
========================================================================================================================

DDASPK Transient Solution at Time = 0.0000E+00 seconds

            CHARACTERISTIC TIME          0.0000E+00  SEC
            MASS FLOW RATE                0.0000E+00  GM/SEC
            PRESSURE                      22.03    ATM
            MASS DENSITY                9.6708E-03  GM/CM^3
            VOLUME                         30.00    CM^3
            TOTAL MASS                   0.2901    G
            TOTAL SURFACE AREA             0.000    CM^2
            TOTAL SURFACE TO VOLUME RATIO 0.000    CM-1
            GAS CHEM HEAT PRODUCTION    -2.0339E+30  CAL/S/CM^3
            TEMPERATURE (FIXED)          898.0    K
            SURF TEMP, MATERIAL1          898.0000  K  (same as gas temp)

REACTOR GAS PHASE MOLE FRACTIONS

H             =  1.8370E-03    H2             =  3.3949E-02    CH4          =  3.4868E-02
CH3          =  1.5940E-29    CH2          =  5.8680E-58    CH             =  1.8755E-83
CO             =  0.2904          CO2          =  0.4647          H2O(G)       =  0.1742

Unburned Hydrocarbons    (ppm):  3.4868E+04

========================================================================================================================

         TASK INTERRUPTED: TROUBLE IN THE TRANSIENT SOLVER DDASPK          REPEATED ERROR TEST FAILURES ON THE LAST STEP

========================================================================================================================
   PEAK TEMPERATURE AND PRESSURE INFORMATION:
      Peak gas temperature = 898.0    K
      Peak gas pressure = 2.2317E+07 dyne/cm^2
========================================================================================================================

***NOTE:  There are WARNING messages in the printout above***

***NOTE:  There are ERROR messages in the printout above***

ERROR condition returned from AUROR

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