Timeline for PHREEQC integration?

[RyanConway91]

I forget when or where, but I recall someone from the MF6 dev team mentioning integrating PHREEQC capabilities into MF6 via the API.

Can anyone provide an details on this timeline?

[christianlangevin]

This is something that we are starting to look into, but there is no real timeline for it. There are a lot of little details that we will need to work through, and it's difficult to put a time estimate on them.

[FTW12345]

Hello,
Is the timeline for integrating PHREEQC and MF6 perhaps already taking shape?
I would like to simulate the geochemical processes that occur during density flow.
Until now, I ran into programs with limitations (PHAST, PHWAT, PHT3D).
Therefore, I hope I can use MF6+PHREEQC soon.
Thanks in advance,
MvdW

[wangzitao21]

I'm also looking forward to the integration of PHREEQC with MODFLOW 6.

[RyanConway91]

FYI, there is a MFUSG-PHREEQC integration called PHTUSG if you need reactive transport for an disv\disu type model

[JoerivanEngelen]

FYI, a little searching the internet for MODFLOW6 couplings with PHREEQC yielded some results (we are 2 years further of course).

Experimental & open-source from @wangzitao21:
wangzitao21/mf6pqc: MF6PQC is a framework that couples MODFLOW6 with PHREEQCRM.

Experimental & unreleased:
rtmf6 - Reactive Transport Modeling with MODFLOW 6 and PHREEQC 3 — rtmf6 0.0.1 documentation

Beta & open-source:
p-ortega/mf6rtm: A python package for reactive transport modeling via the MODFLOW 6 and PhreeqcRM APIs

[p-ortega]

Hey @FTW12345 and @JoerivanEngelen

We welcome PRs and collaborators to https://github.com/p-ortega/mf6rtm, and I’m happy to help with using it. We’re releasing v0.2.0 soon, and we currently have six examples in the repo, with three more on the way—including a 3D study case using DISV and a NAPL study case.

[pya]

Good to see that there is some progress here. Small correction: rtmf6 is MIT licensed but not released yet, so technically not closed-source. Disclaimer: I am the author of rtmf6. ;) @p-ortega maybe there is room for collaboration. I will have look at mf6rtm.

[JoerivanEngelen]

@FTW12345 nice to know that our package iMOD Python is on your radar, but coupling kernels is outside its scope. We have the iMOD Coupler for that, but that mostly focuses on coupling MODFLOW6 to hydrological kernels, and not on geochemical ones. I think @p-ortega and his colleagues did a good job benchmarking coupled PHREEQC and MODFLOW6 simulations, so I would start seeing if their package fits (nearly) all your criteria.

@pya sorry for calling rtmf6 closed-source! From quick glance at the website, it wasn't really clear to me, I should have looked better! Changed the text from "closed-source" to "unreleased".

[p-ortega]

@pya Yeah, def! we are always open to collaborate.

[emorway-usgs]

Note there's a related issue over on the modflow6api repo here. Though it looks like @JoerivanEngelen referenced @wangzitao21 repo earlier in this discussion, so I assume everyone is aware of Zitao's work as well.