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xindali铜虫 (初入文坛)
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[求助]
CHENKIN4.1运行模型出错
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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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