STOMP

Kinetic Reactions Card Options (-R)

Card Options

The following rate formulations can be selected:

TST

Mineral precipitates when Rk > 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.
TST Toward Reactants

Mineral dissolves when Rk < 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.
TST Toward Products

Mineral precipitates when Rk > 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.

  
TST with pH

Mineral dissolves when Rk < 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
pH dependency exponent
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.
TST with pH Toward Reactants

Mineral dissolves when Rk < 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
pH dependency coefficient
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.

  
TST with pH Toward Products

Mineral precipitates when Rk > 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
pH dependency coefficient
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.

  
Schaef TST with pH Toward Reactants

Mineral dissolves when Rk < 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.

  
Schaef TST with pH Toward Products

Mineral precipitates when Rk > 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.

  
TST with pH with Glass Toward Reactants

Mineral dissolves when Rk < 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
activity of aqueous silica
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.

  
TST with Ion Exchange, pH, and Time Dependency Toward Reactants

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
pH dependency exponent
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
equilibrium constant
kinetic reaction rate for ion exchange, mol/m2 s
ion activity product
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
t time, sec
p kinetic reaction time exponent
 
Constant Rate TST

Mineral precipitates when Rk > 0.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
ideal gas constant, J/mol K
mineral specific reactive surface area, m2/kg aqu.
activation energy, J/mol
ion activity product
equilibrium constant
kinetic reaction rate constant, mol/m2 s
kinetic-reaction rate constant at reference temperature, mol/m2 s
temperature, K
kinetic reaction reference temperature, K
Info

For this reaction type, the mineral has to be written as a product.
Forward-Backward

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction forward-rate constant
kinetic-reaction backward-rate constant
concentration of species i, mol/m3 aqu.
stoichiometric-exponent of species i
 
Valocchi Monod

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction acceptor-species concentration, mol/m3 aqu.
kinetic-reaction donor-species concentration, mol/m3 aqu.
half-saturation constant for the electron acceptor, mol/m3
half-saturation constant for the electron donor, mol/m3
mass transfer coefficient, 1/s
biomass, mole cells/m3 aqu.
Valocchi Biomass

The rate of biomass is represented as:

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction acceptor-species concentration, mol/m3 aqu.
kinetic-reaction donor-species concentration, mol/m3 aqu.
half-saturation constant for the electron acceptor, mol/m3
half-saturation constant for the electron donor, mol/m3
microbial yield coefficient, mole cells/mole donor species
mass transfer coefficient, 1/s
biomass, mole cells/m3 aqu.
first-order biomass decay coefficient, 1/s
Valocchi Sorption

Rate is positive when reaction proceeds to sorption.

Symbols
kinetic rate of reaction, mol/s m3 aqu.
mass transfer coefficient, 1/s
solid-aqueous partition coefficient, m3 aqu./kg solid
kinetic-reaction aqueous-species concentration, mol/m3 aqu.
concentration of sorbed species, mol/kg solid
Langmuir Sorption

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction aqueous-species concentration, mol/m3 aqu.
forward mass transfer coefficient, 1/s
backward mass transfer coefficient, 1/s
sorbed concentration, mol/m3
maximum sorbed concentration, mol/m3
Monod

Symbols
kinetic rate of reaction, mol/s m3 aqu.
mass transfer coefficient, 1/s
biomass, mole cells/m3 aqu.
kinetic-reaction donor-species concentration, mol/m3 aqu.
half-saturation constant for the electron donor, mol/m3
 
Single Monod

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction donor-species concentration, mol/m3 aqu.
half-saturation constant for the electron donor, mol/m3
mass transfer coefficient, 1/s
 
Dual Monod

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction acceptor-species concentration, mol/m3 aqu.
kinetic-reaction donor-species concentration, mol/m3 aqu.
half-saturation constant for the electron acceptor, mol/m3
half-saturation constant for the electron donor, mol/m3
mass transfer coefficient, 1/s
 
Biomass

The rate of biomass is represented as:

Symbols
kinetic rate of reaction, mol/s m3 aqu.
kinetic-reaction donor-species concentration, mol/m3 aqu.
half-saturation constant for the electron donor, mol/m3
microbial yield coefficient, mole cells/mole donor species
mass transfer coefficient, 1/s
biomass, mole cells/m3 aqu.
first-order biomass decay coefficient, 1/s
 
Liu Lognormal

  This model is specific for the following uranium surface complexation reactions:

The detailed description of this model is presented in Liu et al.( 2008).

where m indicates the m-th sorption site.

The rate constants αm are assumed to follow a lognormal probability distribution. The probability of a site that has a correspondent rate constant of α is defined as:

The reaction rate constant for a site m, αm, is determined from the following equation:

Symbols
kinetic rate of reaction, mol/s m3 aqu.
adsorption extent of sorbed chemical component i at site m
total sorbed concentration of chemical component i at sorption site m
total sorption site density in the sediment
site density for site m that has an averaged rate constant αm
rate constant at site m
probability distribution function parameter
probability distribution function parameter
 
Liu DualDomain

This model is identical in form to the lognormal model, but considers sorption-desorption independently from mobile and immobile domains.

  

 

References

Liu et al.( 2008). "Scale-dependent desorption of uranium from contaminated subsurface sediments",  WRR, 44, W08413.

 

 

 

 

  

 

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