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NUCLEATION_KINETICS¶
Defines nucleation reaction type and associated parameters to be coupled to mineral precipitation-dissolution reactions.
Required Cards:¶
- NUCLEATION_KINETICS
Opens the block.
- [CLASSICAL,SIMPLIFIED] <string>
Specifies type [CLASSICIAL,SIMPLIFIED] and name of nucleation reaction.
- CLASSICAL
Eq. 3 from Pham et al., 2011
\(\hspace{1cm}\text{rate} = k_N \exp\left(-\beta N_A f(\theta)\left(\frac{\nu \sigma^{3/2}}{\left(RT\right)^{3/2}\ln\Omega}\right)^2\right)\hspace{1cm}\)
where \(\Omega\) is \(K_m Q_m\) from (1)
- RATE_CONSTANT <float>
Rate constant \(k_N\) [mol/sec]
- GEOMETRIC_SHAPE_FACTOR <float>
Geometric shape factor \(\beta\) [-]
- HETEROGENEOUS_CORRECTION_FACTOR <float>
Correction factor for heterogeneous nucleation \(f\left(\theta\right)\) [-]
- SURFACE_TENSION <float>
Surface tension \(\sigma\) [N/m]
- SIMPLIFIED
from Eq. 4 from Pham et al., 2011
\(\hspace{1cm}\text{rate} = k_N \exp\left(-\Gamma \left(\frac{1}{\left(T\right)^{3/2}\ln\Omega}\right)^2\right)\hspace{1cm}\)
where \(\Omega\) is \(K_m Q_m\) from (1)
- RATE_CONSTANT <float>
Rate constant \(k_N\) [mol/sec]
- GAMMA <float>
Lumped \(\Gamma\) parameter [-]
Examples¶
CHEMISTRY ... MINERAL_KINETICS Quartz RATE_CONSTANT 2.d-11 mol/m^2-sec NUCLEATION_KINETICS classical_eq SURFACE_AREA_FUNCTION MINERAL_MASS SPECIFIC_SURFACE_AREA 0.041 m^2/g / / NUCLEATION_KINETICS SIMPLIFIED simplified_eq RATE_CONSTANT 1.d-5 GAMMA 1.d10 / / NUCLEATION_KINETICS CLASSICAL classical_eq RATE_CONSTANT 1.d-5 GEOMETRIC_SHAPE_FACTOR 0.65 HETEROGENEOUS_CORRECTION_FACTOR 0.15 SURFACE_TENSION 0.685 / / END