Please consider pre-registering for the following event!:
Understanding oxygen fugacity in Geoscience is a workshop/school running 5-9 September 2022, to highlight the state of the art, major debates and some case studies about redox processes and oxygen fugacity from the Earth’s interior to the surface. It will bring together experts from various disciplines and it is directed to students and scientists with background on chemistry and physics of the Earth and planetary interiors. The School is hosted by the Department of Mathematics and Geosciences, University of Trieste. We also hope to make the School available to online-only participants.
Eleanor Green and Katy Evans are among the speakers and practical leaders at this School, which will address thermodynamic modelling in addition to experimental, analytical and observational themes.
We thank Luca Ziberna for proposing this School, for patiently persisting with the idea throughout the disruption of the pandemic, and for his exceedingly hard work in leading the Organizing Committee!
There was a syntax error in the igneous-set axfiles representing the 31-10-20 update for THERMOCALC 3.47 (tc-ig47NCKFMASHTOCr.txt and tc-ig47NCKFMASTOCr.txt). The incorrect syntax would have stopped THERMOCALC from running the files. I’ve corrected these now.
The scripts have changed a lot. A guide to the new scripts is bundled with the software download, and we have also updated all existing documentation and tutorials to reflect the changes. (Looking back, I see I previously claimed that scripts in tc350 were unlikely to change further – this proved to be as wrong as any other prediction about 2020.)
Progress represented in this update includes:
Scripts are now more concise and more self-explanatory, and THERMOCALC itself is now quite forceful in telling the user what it expects. We hope this will make the learning experience easier, and reduce the likelihood of mistakes.
Previously, only pseudosection and P-T projection calculations were thoroughly scripted, with other calculation facilities being largely interactive. There is now comprehensive scripting for our other currently-operational calculation facilities:
I believe we’ve now genuinely solved this. You can now download yet another set of igneous input files.
So what was wrong? Initially, Tim and I looked for the problem in the pyroxene quadrilateral, which is the heart of the opx and cpx x-eos calibration. For our previous release of files back in July, Tim removed a gremlin from the enstatite-diopside binary system (introduced by me – yikes), in which the solvus in cpx could be metastable with respect to the equivalent solvus in opx. When this didn’t eliminate high-Ca opx from the 10-component peridotite system, I flushed the same gremlin out from the rest of the pyroxene quadrilateral. But the high-Ca opx continued to mock us.
The final(?) piece of the problem related to the introduction of Ti into opx via the end-member obuf, MgAl(MgTi)0.5SiO6. Ben Klein alerted me to this by mentioning the relatively high Ti content of his high-Ca opx. The end-member properties of obuf itself are essentially unknown, so it doesn’t appear in the dataset. Instead we make an end-member with the right composition by combining Mg-tschermak’s pyroxene, periclase, rutile and corundum, and adding a ΔG term to represent the difference between their combined G(P,T) curves and the (unknown) true G(P,T) of obuf:
Gobuf = Gmgts + 1/2 (Gper + Gru – Gcor) + ΔGobuf
Since we know so little about obuf, and given that it’s only ever present in small proportions, we would not try to fit for both ΔGobuf and the mixing properties of obuf, which are also unknown. We face this problem with many end-members in the more complex x-eos. A common solution is to assign values to the mixing properties, based on the mixing properties of similar end-members, then just fit for the ΔG value, in this case ΔGobuf. However, obuf appears in such tiny proportions that in Holland et al (2018) it was simply treated as if it mixed ideally. Apparently, this wasn’t good enough, so I have given it some more realistic mixing properties, and adjusted ΔGobuf to compensate, doing something similar with obuf‘s monoclinic counterpart cbuf in the cpx x-eos. This destabilises high-Ca opx, at least in Ben’s example.
Has stable high-Ca opx really gone? Let us know if you discover further problems!
This is Simon’s blog reporting on the development of a new single-clinopyroxene HPx-eos.
Lots has changed! Calibrating cpxwing turned out to be a quite difficult task, as there are complex interactions with other major phases, in particular with amphiboles at blueschist facies conditions. While fitting the models we discovered strong correlations between the end-member and mixing properties, which once established, helped us to control the interactions between amphiboles and clinopyroxene.
Using Eleanor’s omphacite model as reference we redefined several core W’s in cpxwing, allowing us to solve a recurring problem where clinopyroxene is calculated at conditions where glaucophane should be dominant. Previously this issue actually prevented us from calculating glaucophane-schists!
Currently we are working out some final tweaks of the new model, including some minor changes of the amphiboles. We are aiming to write-up in the coming months to finally unleash cpxwing into the petrological world!
Simon’s short postdoc has (unfortunately) come to an end.
Time it was, and what a time! I had an amazing experience in this beautiful city – even though I spent more time at home than I would have hoped for.
I am extremely grateful for this dive into the wonderland of model development. Eleanor & Roger showed me a glimpse of how deep the rabbit hole goes – the bottom is not yet in sight! I am honored to be a part of this team and to have learned from these great people. Eleanor and myself will keep close contact and to work on cpxwing and many more exciting projects down the road.
Melbourne, I will miss your chatty lorikeets and amazing coffee. A year really is too short to get to know you.
A quick round-up of news on team members and projects related to the HPx-eos and THERMOCALC:
Simon Schorn recently moved to Austria, where he has been awarded a grant to work at the University of Graz on fluid infiltration during metamorphism. Congratulations Simon! He had a strange year as Eleanor’s post-doc in Melbourne, spending two thirds of it in actual or effective lockdown, but we look forward to continued collaboration and a belated farewell dinner once international travel resumes. While in Melbourne, Simon did excellent work on cpx- and amphibole-bearing equilibria in subsolidus metabasite systems, making key insights that will help us with modelling the blueschist facies. His monstrous new cpx x-eos, cpx-wing, just needs its laser cannons added before it’s ready for take-off.
Corinne Frigo has just completed a marathon experimental programme at ANU, which has highlighted where we could improve the igneous x-eos in dry peridotite systems. We appreciate Corinne’s results all the more because she has persevered with her work through bushfires, a devastating hailstorm that put her lab out of action, and the pandemic. Well done Corinne!
John Mansour has done some magnificent work on TawnyCALC – and the delay in completing and releasing it is entirely my fault, sorry John! More news on this soon.
Katy Evans rightly pointed out that the set of hydrated ultramafic x-eos used in Evans & Powell (2015; J Metam Geol 33 649-670) should be on this site. She has been preparing the input files for this, and they should be ready to go shortly.
RP is focusing on updates to THERMOCALC 3.50. He has implemented a number of changes to the scripting, aimed at making it simpler, more transparent, and better at helping the user when things go wrong. He is currently restoring some functionality related to calculations with fluids that has been lost in recent versions. Once a new version of the program is ready for release, we will also be able to make Simon’s long-awaited pseudosection tutorial available, with up-to-date scripts.
Tim Holland continues to develop the dataset and igneous-set x-eos. In particular: an update for peridotite melting relations; updates for Ti in various phases (ru, ilm, melt); updating spinels with Eleanor; adding CO2 and S to melts, the last two in quite early but promising stages; working with RP on a simple ternary feldspar model that is continuous in composition (without the distinct C1/I1 phases); and on a nepheline model with Owen Weller.
Finally, in between battles with high-Ca opx and cpx-wing, Eleanor Green has been investigating some xenolith data from the Lesser Antilles volcanic arc, collected by Jon Blundy’s team at the University of Bristol. The xenoliths sample the upper part of the magmatic system that created each island, and their whole-rock chemistry and mineral assemblages contain insights into how this magmatic system varies along of the arc. These rocks are very high variance – they have many dimensions of significant compositional variability, but few phases – so forward modelling has proved too challenging for the current generation of x-eos. Fortunately, this is where the (S)COlP barometers come in useful.