reactive-transport

a unified framework for modeling chemically reactive systems

A simple finite volume tool for Julia

PorousMediaLab - toolbox for batch and 1D reactive transport modelling, docs: https://biogeochemistry.github.io/PorousMediaLab/

A python package for reactive transport modeling via the MODFLOW 6 and PhreeqcRM APIs

Easily calling PhreeqcRM from Matlab

A python package that takes XCT images of porous materials and generates representative digital twin micromodels

library for calculations of thermodynamic equilibrium and kinetic evolution of multi-phase systems

PHREEQC geochemical modeling of Enhanced Rock Weathering in Darjeeling tea plantations for carbon removal quantification and agricultural soil enhancement

Integrating diagenetic equations using Python, inspired by LMA-Matlab, which was created by Niklas Hohmann

This is a numerical solver of chemical equilibria for thermodynamic modelling, extended (relative to GEMS3K code) with new [C++ and Python APIs], [examples](https://github.com/gemshub/xgems-jupyter)

Fortran code for the diagenetic model by Ivan L'Heureux 2018 (https://doi.org/10.1155/2018/4968315)

Python tool for the automatic generation of reactive transport libraries in COMSOL Multiphysics from a database DAT file.

Sidian's webpage

Open-source research twin for dental enamel regeneration with PHREEQC geochemistry, reactive transport, uncertainty analysis, and experiment design.

Verified physics-constrained PyTorch surrogate for fast prediction of one-dimensional reactive contaminant transport fields.

Bilingual web application for exploring validated one-dimensional reactive-transport simulations and comparing analytical, finite-volume, and neural solutions.

Reproducible numerical validation of ADR1D-ML and ADR1D-NN using a locked analytical challenge set, a finite-volume reference, persisted evidence, and a DOI-ready technical report.

Open-science implementation of reactive particle tracking in discrete fracture networks coupled to offline PHREEQC chemistry.

Machine-learning inference of identifiable reactive-transport parameters from six-sensor ADR1D concentration histories.

Reproducible hybrid mGFD-machine-learning defect correction for two-dimensional reactive contaminant transport, with trained PyTorch models, held-out validation, and an irregular-geometry audit.