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Updated: Jan 26, 2026

Optimizing the Growth of Endothiapepsin Crystals for Serial Crystallography Experiments
Published on: February 4, 2021
A robust optimization technique for analysis of multi-tracer experiments
Mehdi Gharasoo1, Luzie M Wietzke2, Bastian Knorr3
1University of Waterloo, Department of Earth and Environmental Sciences, Ecohydrology, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada; Helmholtz Zentrum München, Institute of Groundwater Ecology, Ingolstädter Landstr. 1, 85764 Neuherberg, Germany.
This study introduces OptSFDM, a new scatter search method to optimize the Single Fissure Dispersion Model (SFDM) for solute transport in porous media. It accurately determines key parameters like porosity and mass exchange, overcoming previous limitations.
Area of Science:
- Environmental Science
- Hydrogeology
- Geochemistry
Background:
- Solute transport in heterogeneous porous media is influenced by diffusive mass exchange between mobile and immobile water zones.
- Quantifying these exchange processes in aquifers is challenging, often requiring multi-tracer experiments and mathematical modeling.
- The Single Fissure Dispersion Model (SFDM) is a common approach for dual-porosity transport but is difficult to optimize using conventional methods.
Purpose of the Study:
- To develop a rigorous optimization technique for the SFDM.
- To automatically determine hydrogeologically relevant parameters such as effective mobile and immobile porosity and diffusive mass exchange.
- To present a user-friendly software tool (OptSFDM) for SFDM optimization.
Main Methods:
- A novel scatter search optimization algorithm was developed and implemented.
- The algorithm was used to minimize the SFDM to fit experimental data.
- A graphical user interface (GUI) was created for the OptSFDM program.
Main Results:
- The scatter search method effectively optimizes the SFDM, providing accurate parameter estimations.
- The OptSFDM program with its GUI simplifies the optimization process compared to trial-and-error methods.
- Validation against previous experimental case studies demonstrated the program's usability and accuracy.
Conclusions:
- The developed scatter search optimization technique offers a robust and automated solution for SFDM parameter estimation.
- OptSFDM provides a valuable, user-friendly tool for researchers studying solute transport in dual-porosity media.
- This advancement facilitates a better understanding of contaminant transport and groundwater management in heterogeneous aquifers.
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