QianhuiCMG asked 3月 ago
您好，希望使用GEM模拟泡沫驱过程中表活剂降解对CO2-Inventory的影响，使用了Arrhenius方程模拟该降解过程，相关数据部分如下：但是结果发现表活剂没有降解。
虽然STARS可以模拟表活剂降解，但是不能输出CO2Inventory。请问是不是Arrhenius方程和TST方程不能同时使用，或者您有没有更好的办法模拟表活剂的降解。十分感谢！
SOLUBILITY HENRY
YAQU-RATE-CUTOFF
1.000000E-04 1.000000E+00
DER-CHEM-EQUIL NUMERICAL
DER-REACT-RATE NUMERICAL
ACTIVITY-MODEL B-DOT
SALINITY-CALC OFF
HENRY-CORR-CO2
RF_EXPONENT 3.00000
RFCALC K-C
GEOCHEM_V2
NC-AQUEOUS 8
COMPNAME-AQUEOUS
‘Surf’ ‘H+’ ‘Ca++’ ‘Al+++’ ‘SiO2(aq)’ ‘HCO3-‘ ‘CO3–‘ ‘OH-‘
MW-AQUEOUS
54 0.1007900E+01 0.4008000E+02 0.2698150E+02 0.6008430E+02 0.6101710E+02 0.6000920E+02 0.1700730E+02
ION-SIZE-AQUEOUS
6.0 9.000 6.000 9.000 -0.500 4.500 4.500 3.500
CHARGE-AQUEOUS
0.0 1.000 2.000 3.000 0.000 -1.000 -2.000 -1.000
NC-MINERAL 3
COMPNAME-MINERAL
‘Anorthit’ ‘Calcite’ ‘Kaolinit’
MW-MINERAL
0.2782093E+03 0.1000892E+03 0.2581603E+03
MASSDENSITY-MINERAL
2760.287 2709.947 2594.054
REACTION-CHEM ‘CO2’ + ‘H2O’ = ‘H+’ + ‘HCO3-‘
** *LOG-CHEM-EQUIL-CONST -6.32214633E+00
LOG-CHEM-EQUIL-COEFS
-6.549243E+00 9.001740E-03 -1.021151E-04 2.761880E-07 -3.561423E-10
REACTION-CHEM ‘CO3–‘ + ‘H+’ = ‘HCO3-‘
** *LOG-CHEM-EQUIL-CONST 1.02341976E+01
LOG-CHEM-EQUIL-COEFS
1.060796E+01 -1.276757E-02 1.202581E-04 -3.017312E-07 2.693722E-10
REACTION-CHEM ‘OH-‘ + ‘H+’ = ‘H2O’
** *LOG-CHEM-EQUIL-CONST 1.32631336E+01
LOG-CHEM-EQUIL-COEFS
1.492816E+01 -4.187619E-02 1.973673E-04 -5.549510E-07 7.581093E-10
REACTION-RATE-TST ‘Anorthit’ + 8 ‘H+’ = 4 ‘H2O’ + ‘Ca++’ + 2 ‘Al+++’ + 2 ‘SiO2(aq)’
** *LOG-CHEM-EQUIL-CONST 2.30603201E+01
LOG-CHEM-EQUIL-COEFS
3.174573E+01 -2.012538E-01 5.958904E-04 -9.041164E-07 9.153897E-11
REACTIVE-SURFACE-AREA 8.800000E+01
ACTIVATION-ENERGY 6.783000E+04
LOG-TST-RATE-CONSTANT -12.00000
REACTION-RATE-TST ‘Calcite’ + ‘H+’ = ‘Ca++’ + ‘HCO3-‘
** *LOG-CHEM-EQUIL-CONST 1.35601961E+00
LOG-CHEM-EQUIL-COEFS
2.068889E+00 -1.426678E-02 -6.060956E-06 1.459215E-07 -4.189283E-10
REACTIVE-SURFACE-AREA 8.800000E+01
ACTIVATION-ENERGY 4.187000E+04
LOG-TST-RATE-CONSTANT -8.79588
REACTION-RATE-TST ‘Kaolinit’ + 6 ‘H+’ = 5 ‘H2O’ + 2 ‘Al+++’ + 2 ‘SiO2(aq)’
** *LOG-CHEM-EQUIL-CONST 5.47061206E+00
LOG-CHEM-EQUIL-COEFS
9.729544E+00 -9.889756E-02 2.915576E-04 -3.270283E-07 -3.311008E-10
REACTIVE-SURFACE-AREA 1.760000E+04
ACTIVATION-ENERGY 6.276000E+04
LOG-TST-RATE-CONSTANT -13.00000
REACTION-RATE-ARN ‘Surf’ = 3 ‘H2O’
ACTIVATION-ENERGY 0
FREQUENCY-FACTOR 1000000
REACTION-ORDER
‘Surf’ 2
