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laws:rchim [2024/04/19 16:02] arthur [The model] |
laws:rchim [2024/04/22 16:59] (current) arthur |
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\[C_{O_2} = C_{O_2}- AQF * \Delta t_{ch}* \left(\frac{26*32}{1089}\right) \frac{1}{CPORO}\] with $CPORO=0.4$.\\ | \[C_{O_2} = C_{O_2}- AQF * \Delta t_{ch}* \left(\frac{26*32}{1089}\right) \frac{1}{CPORO}\] with $CPORO=0.4$.\\ | ||
- | Finally, the increment of $O_2$ concentration ($\Delta C_{O_2}}= C_{O_2,ini} - C_{O_2}$) is calculated and the parameters of interest are updated only if that increment is inferior to 1E-4: | + | Finally, the increment of $O_2$ concentration ($\Delta C_{O_2}= C_{O_2,ini} - C_{O_2}$) is calculated and the parameters of interest are updated only if that increment is inferior to 1E-4: |
\[\Delta C_{coal}= C_{coal,ini} - C_{coal}\] | \[\Delta C_{coal}= C_{coal,ini} - C_{coal}\] | ||
\[FL_{coal} = -\Delta H * \frac{\Delta C_{coal}}{\Delta t}\] | \[FL_{coal} = -\Delta H * \frac{\Delta C_{coal}}{\Delta t}\] | ||
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The new chemical time step is then $\Delta t_{ch} = 0.1*\tau_{CO_2}$. The following calculations are then performed until reaching $\Delta t$: | The new chemical time step is then $\Delta t_{ch} = 0.1*\tau_{CO_2}$. The following calculations are then performed until reaching $\Delta t$: | ||
- | \[AQF = \frac{\alpha_1*FH*C_{CO_2}}{G_{max}}*\left(1-\left((\frac{C_{CaCO_3}}{C_{ma}}\right)\right)*A*\exp\left(\frac{-E_0}{(R*TEMP)}\right)\] | + | \[AQF = \frac{\alpha_1*FH*C_{CO_2}}{G_{max}}*\left(1-\left(\frac{C_{CaCO_3}}{C_{ma}}\right)\right)*A*\exp\left(\frac{-E_0}{(R*TEMP)}\right)\] |
\[C_{Ca(OH)_2} = C_{Ca(OH)_2}-AQF*\Delta t_{ch}\] | \[C_{Ca(OH)_2} = C_{Ca(OH)_2}-AQF*\Delta t_{ch}\] | ||
\[C_{CaCO_3}= 0\] | \[C_{CaCO_3}= 0\] | ||
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==== Integer parameters ==== | ==== Integer parameters ==== | ||
^ Line 1 (1I5) ^^ | ^ Line 1 (1I5) ^^ | ||
- | |ICOAL|= 1 | | + | |ICOAL|= 1 for the combustion of coal (?)| |
- | |:::|= 2 | | + | |:::|= 2 for a reaction of carbonation (?)| |
|:::|= 3 to use the biochemical degradation of the organic matter | | |:::|= 3 to use the biochemical degradation of the organic matter | | ||
+ | |:::|=4 to use the carbonation of cementitious materials| | ||
^ Line 2 (2G10.0) ^^ | ^ Line 2 (2G10.0) ^^ | ||
|FLUXF|| | |FLUXF|| | ||
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|CM|initial condition on methanogen biomass concentration| | |CM|initial condition on methanogen biomass concentration| | ||
|ORG|initial condition on organic matter content| | |ORG|initial condition on organic matter content| | ||
+ | |||
+ | __If ICOAL = 4__ | ||
+ | ^ Line 1 (7G10.0) ^^ | ||
+ | |hmin|Minimal pore relative humidity| | ||
+ | |ALPHA|Material parameter| | ||
+ | |GMAX|Maximum CO2 content| | ||
+ | |z|Cement content of the mix| | ||
+ | |C|Ca(OH)2 content of the mix| | ||
+ | |CAOH2|Ca(OH)2 content of the mix| | ||
+ | |CACO3|CaCO3 content of the mix| | ||
+ | ^ Line 2 (7G10.0) ^^ | ||
+ | |ISR|Index for the water retention curve| | ||
+ | |CSR1|Parameter 1 of the WRC| | ||
+ | |CSR2|Parameter 2 of the WRC| | ||
+ | |CSR3|Parameter 3 of the WRC| | ||
+ | |CSR4|Parameter 4 of the WRC| | ||
+ | |CSR5|Parameter 5 of the WRC| | ||
+ | |NSUBH|Number of sub-increment for the hysteresis (if ISR=53)| | ||
+ | ^Line 3 (4G10.0) ^^ | ||
+ | |SRW|Initial saturation degree of the porous medium| | ||
+ | |SRES|Minimal Srw| | ||
+ | |SRFIELD|Maximal Srw| | ||
+ | |POROS|Porosity| | ||
+ | |||
===== Stresses ===== | ===== Stresses ===== | ||
==== Number of stresses ==== | ==== Number of stresses ==== | ||
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|Q(3)|Modified enzymatic hydrolysis rate (VFA accumulation rate) | | |Q(3)|Modified enzymatic hydrolysis rate (VFA accumulation rate) | | ||
|Q(4)|VFA depletion rate | | |Q(4)|VFA depletion rate | | ||
+ | |||
+ | __IF ICOAL = 4 :__ | ||
+ | |Q(1)|Ca(OH)2 content | | ||
+ | |Q(2)|CACO3 content | | ||
+ | |Q(3)|SRW | | ||
+ | |Q(4)|/ | | ||