Integrated Reactive Transport Hands-on

This workshop was developed for the IDEAS-Watersheds Phase 2 All Hands.

Facilitators: Sergi Molins (LBNL) and Glenn Hammond (PNNL)

Date: December 9, 2023

Location: Stanford University

Learning Objectives

At the end of the workshop, participants will be able to:

• Set up reactive transport simulations in integrated hydrology problems in ATS using test and demonstration examples
• Set up a PFLOTRAN input file
• Address common issues that arise when setting up a new reactive transport problem

Prerequisites

To maximize the learning experience from the workshop, participants should have be familiar with

• Integrated hydrology and solute transport
• Aqueous geochemistry
• The use of ATS
• The use of containers on their computers
• The use of text editors and visualization tools (e.g. Visit, Parflow)

Materials and Resources

References

Molins, Sergi, et al. "A Multicomponent Reactive Transport Model for Integrated Surface‐Subsurface Hydrology Problems." Water Resources Research 58.8 (2022): e2022WR032074. DOI

Peter C. Lichtner, Glenn E. Hammond, Chuan Lu, Satish Karra, Gautam Bisht, Benjamin Andre, Richard T. Mills, Jitendra Kumar, Jennifer M. Frederick (2020): "PFLOTRAN User Manual, link

Course files and containers

Coming soon.

Outline

• 1. Tracer transport:

Set up an integrated tracer transport problem in a column building on ATS integrated hydrology inputs (Sergi).

• 2. Geochemical reaction network:

Set up and test a geochemical problem in PFLOTRAN (Glenn).

• 3. Integrated reactive transport:

Set up a reactive transport problem building on the column simulation and PFLOTRAN inputs and troubleshooting (Sergi and Glenn).

• 4. Integrated reactive transport:

Set up more complex simulations: the hillslope example (Sergi).