Publication Date:
2017-07-17
Description:
Recently, Particle Swarm Optimization (PSO) techniques have attracted many researchers to optimize model parameters in several fields of research. This paper explains, for the first time, how to interface the hydroPSO R optimization package with the PHREEQC geochemical model, version 2.3.1. Sorption of metals on minerals is a key process in treatment water, natural aquatic environments, and other water related technologies. Sorption processes can be simulated by means of surface complexation models. However, determining thermodynamic constants for surface species from batch experiments requires a robust parameter estimation tool that does not get stuck in local minima. In this work, uranium at low concentrations was sorbed on quartz at different pH. Results show that hydroPSO delivers more reliable thermodynamic parameter values than PEST when both are coupled to PHREEQC using the same thermodynamic input data (Nair et al., 2014). Post-processing tools included in hydroPSO are helpful for the interpretation of the results. Thus, hydroPSO is a recommended optimization tool for PHREEQC with respect to inverse modeling to determine reliable and meaningful thermodynamic parameter values.
Print ISSN:
1991-9611
Electronic ISSN:
1991-962X
Topics:
Geosciences
Permalink