Geoscientific Model Development
Geoscientific Model Development
GMD
Articles | Volume 12, issue 1
Articles | Volume 12, issue 1
https://doi.org/10.5194/gmd-12-167-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/gmd-12-167-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 3.0 License.
Articles | Volume 12, issue 1
Development and technical paper
 | 
08 Jan 2019
Development and technical paper |  | 08 Jan 2019

Particle swarm optimization for the estimation of surface complexation constants with the geochemical model PHREEQC-3.1.2

Ramadan Abdelaziz, Broder J. Merkel, Mauricio Zambrano-Bigiarini, and Sreejesh Nair

Model code and software

Coupling of hydroPSO and PHREEQC R. Abdelaziz https://doi.org/10.5281/zenodo.1044951

PHREEQC v3.1.2 (Version v3.1.2) D. L. Parkhurst and C. A. Appelo http://www.hydrochemistry.eu/ph3/index.html

hydrPSO V0.3.3 (Version V0.3.3) M. Zambrano-Bigiarini and R. Rojas https://CRAN.R-project.org/package=hydroPSO

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Short summary
The paper presents a robust tool to estimate the thermodynamic surface complexation parameter for the sorption of uranium(VI) onto quartz surfaces. The optimization package hydroPSO R is coupled with the geochemical speciation code PHREEQC. hydroPSO used the m parameter estimation tool for geochemical modeling with PHREEQC. Coupled hydroPSO with PHREEQC proved to be a robust tool to estimate surface complexation constants for uranium(VI) species on quartz.
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