XFluid
XFluid: the program for calculation of C-O-H fluid compositions at pressures from 1 bar to 100 kbar and temperatures from 400°C to 2300°C according to EOS of C. Zhang & Z.H. Duan (2009)
You can use this small and simple freeware program to calculate compositions of C-O-H fluid at pressures from 1 bar to 100 kbar and temperatures from 400°C to 2300°C for many samples at once, according to:
Zhang, C., Duan, Z.H., 2009. A model for C–O–H fluid in the Earth’s mantle // Geochimica et Cosmochimica Acta, V. 73, pp. 2089–2102.
It is a wrapper for the C-O-H EOS library COHDLL.dll, used by the Excel program GFluid.xls of Chi Zhang and Zhenhao Duan, that can be downloaded from http://gcmodel.kl-edi.ac.cn/archives/programs.htm:
Zhang, C., Duan, Z.H., 2010. GFluid: An Excel spreadsheet for investigating C–O–H fluid composition under high temperatures and pressures // Computers & Geosciences, V. 36, No 4, pp. 569-572.
The program can also estimate fluid compositions according to an old model of S.K. Simakov and L.P. Nikitina ("SN95" option instead "ZD10"):
Simakov, S.K., Nikitina, L.P., 1995. Connection of diamonds' occurence in mantle xenoliths and the upper mantle redox conditions // Geokhimia, No 2, pp. 163-173 (in Russian: Svyaz' almazonosnosti mantiynikh ksenolitov s okislitel'no-vosstanovitel'nimi usloviyami verkhney mantii).
Implementation of this model is slightly modified: approximated Graphite-Diamond curve follows the EOS proposed in:
Fried L.E., Howard W.M., 2000. Explicit Gibbs free energy equation of state applied to the carbon phase diagram // Physical Review B: Condensed Matter, V. 61, pp. 8734–8743.
accepted in the model of C. Zhang and Z.H. Duan:
P,kbar = 14.47 + 0.0233 × T,°C + 1.09134e-6 × T,°C 2 - 1.1491e-10 × T,°C 3
The model SN95 may have only historical interest; ZD10 is highly recommended.
Tables calculated in XFluid can be loaded to TriQuick for plotting data on diagrams:
Comments
can not paste the data to XFluid
Dear Prof. Dmitry Dolivo-Dobrovolsky,
I had run the XFluid, but after paste the following data, XFluid always shows that "absolute lg(fO2) values required".
Searc
------------------------------
"P" "lg(fO2)" "T"
30 -7 1000
==============================
OR as follows:
------------------------------
"P" "lg(fO2)" "T"
30 0.0000001 1000
==============================
I do NOT know what the problem is, so I hope you can help.
Thank you very much,
Regards,
Yang Wang
can not paste the data to XFluid
Dear Yang Wang,
Follow these rules:
Try to paste this sample:
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Dmitry DD