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Author Topic: Useful resource for rate parameters  (Read 19340 times)

Tom

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  • Posts: 124
Useful resource for rate parameters
« on: 14/10/14 13:17 »
Palandri, J.L., and Kharaka, Y.K. (2004). A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modeling.

From the USGS, can be found here:

http://pubs.usgs.gov/of/2004/1068/pdf/OFR_2004_1068.pdf

Document includes dissolution rate parameters (log k) for a wide range of minerals.
« Last Edit: 23/03/20 10:43 by Charlie »
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Charlie

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  • Posts: 158
Re: Useful resource for rate parameters
« Reply #1 on: 23/03/20 10:41 »
A library of BASIC scripts of reaction rates for geochemical modeling using phreeqc

https://www.sciencedirect.com/science/article/pii/S0098300418311853

https://github.com/HydrogeoIU/PHREEQC-Kinetic-Library/blob/master/PHREEQC%20script.txt
« Last Edit: 24/03/20 14:45 by Charlie »
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Charlie

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  • Posts: 158
Re: Useful resource for rate parameters
« Reply #2 on: 09/07/20 15:17 »
Supplementary information 2:

https://ars.els-cdn.com/content/image/1-s2.0-S0883292714002443-mmc2.txt


https://www.sciencedirect.com/science/article/pii/S0883292714002443?via%3Dihub#m0010

MARTY ET AL 2015
Applied Geochemistry
Volume 55, April 2015, Pages 108-118

A database of dissolution and precipitation rates for clay-rocks minerals
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taa18

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  • Posts: 12
Re: Useful resource for rate parameters
« Reply #3 on: 14/02/23 05:13 »
The database provided by Palandri and Kharaka, they suggested raising activity of H+ to a negative power instead of using a positive power fro the activity of OH-. I could not implement the negative power of H+ in phreeqc, anybody else facing the same issue?
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Tony_Appelo

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  • Posts: 1
Re: Useful resource for rate parameters
« Reply #4 on: 19/12/25 11:26 »
PHREEQC has the PHREEQC_RATES.DAT database since version 3.8. It contains the kinetic rate parameters in the tabular format copied directly from the compilations by Palandri and Kharaka (2004), Sverdrup et al. (2019) and Hermansk? et al. (2022, 2023). It is no longer necessary to write a detailed BASIC program for these rates, which greatly facilitates to intercompare the various rates in a kinetic model.

For explanation and examples see:
hydrochemistry.eu/exmpls/kin_silicates.html

Rate parameter blocks were added to PHREEQC.DAT:
RATE_PARAMETERS_PK
RATE_PARAMETERS_SVD
RATE_PARAMETERS_HERMANSKA
Missing PHASES were copied from ThermoddemV1.10_15Dec2020.dat

Download the database from:
hydrochemistry.eu/exmpls/PHREEQC_RATES.DAT

Download an example input file with KINETICS calculations for albite, calcite, quartz and montmorillonite from:
hydrochemistry.eu/exmpls/rates_comp.phr

Tony.
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