This keyword data block is
used to define rate parameters in the style of Palandri and Kharaka (2004). The
parameters can be used by the Basic function RATE_PK to calculate kinetic rates
for any mineral in the data block. It is expected that the function RATE_PK
will be used in rate definitions in the RATES data block. RATE_PK
calculates rates without surface area or affinity factors. These factors can be
added in the RATES definition.
Line 0: RATE_PARAMETER_PK
Line 1: Quartz -30 0 0 -13.4 90.9 -30 0 0
Line 2: Calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33
Line 3: Pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 RATE_PARAMETERS_PK is the
keyword for the data block.
Line 1: Mineral name, Acid_log_K , E, n(H+), Neutral_log_K, E,
Base_log_K, E, n(OH-)
Mineral name –Name of the mineral for which rates can be
calculated.
Acid_log_K –Log of acid rate parameter.
E—Activation energy for the
acid reaction.
n(H+)—Exponent of activity
of H+ in the acid rate equation.
Neutral_log_K—Log of
neutral rate parameter.
E—Activation energy for the
neutral reaction.
Base_log_K—Log of base rate
parameter.
E—Activation energy for the
base reaction.
n(OH-)—Exponent used in the
base reaction.
Line 2: Mineral name,
Acid_log_K , E, n(H+), Neutral_log_K, E, PCO2_log_K, E, n(PCO2), 33
Mineral name –Name of the
mineral for which rates can be calculated.
Acid_log_K –Log of acid
rate parameter.
E—Activation energy for the
acid reaction.
n(H+)—Exponent of activity
of H+ in the acid rate equation.
Neutral_log_K—Log of
neutral rate parameter.
E—Activation energy for the
neutral reaction.
PCO2_log_K—Log of CO2 rate
parameter.
E—Activation energy for the
CO2 reaction.
n(PCO2)—Exponent used in
the CO2 rate equation.
33—Identifier that the
equation related to table 33 in Palandri and Kharaka (2004) is to be used in
the rate calculation.
Line 3: Mineral name,
Acid/Fe+3_log_K , E, n(H+), n(Fe+3), Neutral/O2_log_K, E, n(O2), Base_log_K, E,
n(OH-), 35
Mineral name –Name of the
mineral for which rates can be calculated.
Acid/Fe+3_log_K –Log of
acid rate parameter including Fe+3.
E—Activation energy for the
acid plus Fe+3 reaction.
n(H+)—Exponent of activity
of H+ in the acid rate equation.
n(Fe+3)—Exponent of
activity of Fe+3 in the acid rate equation.
Neutral/O2_log_K—Log of
neutral rate parameter.
E—Activation energy for the
neutral reaction.
n(O2)—Exponent of O2 in
neutral rate reaction.
Base_log_K—Log of base rate
parameter.
E—Activation energy for the
base reaction.
n(OH-)—Exponent used in the
base rate equation.
35—Identifier that the
equation related to table 35 in Palandri and Kharaka (2004) is to be used in
the rate calculation.