Dear Yan,
thanks very much for sending through the datafile. All is well now!
Thanks for the offer for melt model, but i already have that.
cheers
dave k
PS: here's a song for ya!
At 01:19 am 3/04/2007, you wrote:
>Hi Dave,
>
>I have one which Richard White gave to me. The melt composition is
>not added to this attached file. If you want the one with melt
>composition, I can send it to you.
>
>Yan Chen
>
>
>
>
>Dave Kelsey wrote:
>
>>Hello all at geometamorphism,
>>
>>does anyone have an up-to-date MnNCKFMASH datafile for THERMOCALC
>>(i.e. works on v3.23 or v3.26) that they could please email me? The
>>only Mn-bearing datafile I have contains Ti and Fe3 as well, which
>>i don't want for my current exercise.
>>
>>cheers/thanks
>>dave kelsey
>>Australian Postdoctoral Fellow
>>University of Adelaide
>>Australia
>>
>>
>
>
>
>% ==================Chlorite======================================
>
>chl 4 % Holland et al 1998 EJM 10, 395, SIMPLIFIED
> % use ONLY for chl with y > 1/2 (+ Mn)
>
> x(chl) 0.5856 % Fe/(Fe + Mg)
> y(chl) 0.5371 % 2y = x(Al,M4) + x(Al,M1)
> m(chl) 0.008870 % x(Mn,M23) = x(Mn,M1)
>
> % --------------------------------------------------
>
> p(clin) 2 1 2 2 -2 y -1 m
> 2 0 1 -2/5 x 3 2 -1 y -1 m
>
> p(daph) 1 2 0 1 2/5 x 3 2 -1 y -1 m
>
> p(ames) 1 1 -1 1 2 y
>
> p(mnchl) 1 1 0 1 1 m
>
>% --------------------------------------------------
> sf
>
> W(clin,daph) 2.5 0 0
> W(clin,ames) 18 0 0
> W(clin,mnchl) 0 0 0
> W(daph,ames) 13.5 0 0
> W(daph,mnchl) 0 0 0
> W(ames,mnchl) 0 0 0
>
> % --------------------------------------------------
> 9 % site fractions
>
> x(Fe,M23) 1 2 0 1 1 x 1 1 -1 m
> x(Mg,M23) 1 2 1 1 -1 x 1 1 -1 m
> x(Mn,M23) 1 1 0 1 1 m
>
> x(Al,M1) 1 1 -1 1 2 y
> x(Fe,M1) 1 2 0 1 1 x 2 2 -2 y -1 m
> x(Mg,M1) 1 2 1 1 -1 x 2 2 -2 y -1 m
> x(Mn,M1) 1 1 0 1 1 m
>
> x(Al,T2) 1 1 0 1 1 y
> x(Si,T2) 1 1 1 1 -1 y
>
> % --------------------------------------------------
>
> clin 4 4 x(Mg,M23) 4 x(Mg,M1) 1 x(Al,T2) 1 x(Si,T2) 1
>
> daph 4 4 x(Fe,M23) 4 x(Fe,M1) 1 x(Al,T2) 1 x(Si,T2) 1
>
> ames 1 3 x(Mg,M23) 4 x(Al,M1) 1 x(Al,T2) 2
>
> mnchl 4 4 x(Mn,M23) 4 x(Mn,M1) 1 x(Al,T2) 1 x(Si,T2) 1
>
>
>% =============================================================
>
>
>st 3
>
> x(st) 0.89 % Fe/(Fe + Mg)
> m(st) 0.01 % Mn/(Fe + Mg + Mn)
>
> p(mst) 1 2 1 1 -1 x 1 1 -1 m
> p(fst) 1 2 0 1 1 x 1 1 -1 m
> p(mnst) 1 1 0 1 1 m
>
>sf
>
> w(mst,fst) -8 0 0
> w(mst,mnst) 0 0 0
> w(fst,mnst) 0 0 0
>
>3
> x(Mg) 1 2 1 1 -1 x 1 1 -1 m
> x(Fe) 1 2 0 1 1 x 1 1 -1 m
> x(Mn) 1 1 0 1 1 m
>
> mst 1 1 x(Mg) 4
> fst 1 1 x(Fe) 4
> mnst 1 1 x(Mn) 4
>
>% =============================================================
>
>ctd 3
>
> x(ctd) 0.8 % Fe/(Fe + Mg)
> m(ctd) 0.1 % Mn/(Fe + Mg + Mn)
>
> p(mctd) 1 2 1 1 -1 x 1 1 -1 m
> p(fctd) 1 2 0 1 1 x 1 1 -1 m
> p(mnctd) 1 1 0 1 1 m
>
>
>sf
>
> w(mctd,fctd) 1 0 0
> w(mctd,mnctd) 0 0 0
> w(fctd,mnctd) 0 0 0
>
>3
> x(Mg) 1 2 1 1 -1 x 1 1 -1 m
> x(Fe) 1 2 0 1 1 x 1 1 -1 m
> x(Mn) 1 1 0 1 1 m
>
> mctd 1 1 x(Mg) 1
> fctd 1 1 x(Fe) 1
> mnctd 1 1 x(Mn) 1
>
> % ========cordierite=====================================
>
>cd 4
> x(cd) 0.3 % Fe/(Fe + Mg)
> m(cd) 0.02 % Mn/(Fe + Mg + Mn)
> h(cd) 0.5 % H2O
>
> p(crd) 2 1 1 2 -1 m -1 h
> 2 0 1 -1 x 1 1 -1 m
>
> p(fcrd) 1 2 0 1 1 x 1 1 -1 m
>
> p(mncrd) 1 1 0 1 1 m
>
> p(hcrd) 1 1 0 1 1 h
>
>ideal
>
>5 x(Mg) 1 2 1 1 -1 x 1 1 -1 m
>
> x(Fe) 1 2 0 1 1 x 1 1 -1 m
>
> x(Mn) 1 1 0 1 1 m
>
> h 1 1 0 1 1 h
>
> noth 1 1 1 1 -1 h
>
>
> crd 1 2 x(Mg) 2 noth 1
>
> fcrd 1 2 x(Fe) 2 noth 1
>
> mncrd 1 2 x(Mn) 2 noth 1
>
> hcrd 1 2 x(Mg) 2 h 1
>
>% ==================White mica
>(muscovite)======================================
>
>% NKFMASH white mica, from Coggon&Holland, 2002
>
>mu 4
>
> fe(mu) 0.5615 % = Fe/(Fe+Mg) bulk
> y(mu) 0.9621 % = 2 - (Si/2)
> na(mu) 0.2538 % = Na total
>
> % --------------------------------------------------
> p(mu) 1 1 0 2 1 y -1 na % = y - na
> p(pa) 1 1 0 1 1 na % = na
> p(cel) 1 2 1 1 -1 fe 1 1 -1 y % = (1
> - fe)(1 - y)
> p(fcel) 1 2 0 1 1 fe 1 1 -1 y % = (fe)(1 - y)
> % --------------------------------------------------
> asf
> W(mu,pa) 10.12 0.0034 0.353
> W(mu,cel) 0.00 0.0000 0.200
> W(mu,fcel) 0.00 0.0000 0.200
> W(pa,cel) 52.00 0.0000 0.000
> W(pa,fcel) 52.00 0.0000 0.000
> W(cel,fcel) 0.00 0.0000 0.000
> mu 0.63 0.0 0.0
> pa 0.37 0.0 0.0
> cel 0.63 0.0 0.0
> fcel 0.63 0.0 0.0
> % --------------------------------------------------
> 7
> x(K,A) 1 1 1 1 -1 na % = 1 - na
> x(Na,A) 1 1 0 1 1 na % = na
> x(Al,M2A) 1 1 0 1 1 y % = y
> x(Fe,M2A) 1 2 0 1 1 fe 1 1 -1 y % = (fe)(1-y)
> x(Mg,M2A) 1 2 1 1 -1 fe 1 1 -1 y % = (1-fe)(1-y)
> x(Si,T1) 1 1 1 1 -1/2 y % = 1 - (y/2)
> x(Al,T1) 1 1 0 1 1/2 y % = (y/2)
> % --------------------------------------------------
> mu 4 4 x(K,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
> check 0 1 0
> pa 4 4 x(Na,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
> check 0 1 1
> cel 1 3 x(K,A) 1 x(Mg,M2A) 1 x(Si,T1) 2
> check 0 0 0
> fcel 1 3 x(K,A) 1 x(Fe,M2A) 1 x(Si,T1) 2
> check 1 0 0
>
>% ==PARAGONITE======= NKFMASH white mica, from Coggon&Holland, 2002
>==================
>
>pa 4
>
> fe(pa) 0.5615 % Fe/(Fe+Mg)
> y(pa) 0.9994 % XAl,M2A
> na(pa) 0.9595 % XNa,A
> % --------------------------------------------------
> p(mu) 1 1 0 2 1 y -1 na
> p(pa) 1 1 0 1 1 na
> p(cel) 1 2 1 1 -1 fe 1 1 -1 y
> p(fcel) 1 2 0 1 1 fe 1 1 -1 y
> % --------------------------------------------------
> asf
> W(mu,pa) 10.12 0.0034 0.353
> W(mu,cel) 0.00 0.0000 0.200
> W(mu,fcel) 0.00 0.0000 0.200
> W(pa,cel) 52.00 0.0000 0.000
> W(pa,fcel) 52.00 0.0000 0.000
> W(cel,fcel) 0.00 0.0000 0.000
> mu 0.63 0.0 0.0
> pa 0.37 0.0 0.0
> cel 0.63 0.0 0.0
> fcel 0.63 0.0 0.0
> % --------------------------------------------------
> 7
> x(K,A) 1 1 1 1 -1 na
> x(Na,A) 1 1 0 1 1 na
> x(Al,M2A) 1 1 0 1 1 y
> x(Fe,M2A) 1 2 0 1 1 fe 1 1 -1 y
> x(Mg,M2A) 1 2 1 1 -1 fe 1 1 -1 y
> x(Si,T1) 1 1 1 1 -1/2 y
> x(Al,T1) 1 1 0 1 1/2 y
> % --------------------------------------------------
> mu 4 4 x(K,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
> check 0 1 0
> pa 4 4 x(Na,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
> check 0 1 1
> cel 1 3 x(K,A) 1 x(Mg,M2A) 1 x(Si,T1) 2
> check 0 0 0
> fcel 1 3 x(K,A) 1 x(Fe,M2A) 1 x(Si,T1) 2
> check 1 0 0
>
>% __________________________________________________________________
>
>bi 5 % Powell/Holland 1999 Am Min, 84, 1 (+ Mn)
>
> x(bi) 0.4 % Fe/(Fe + Mg)
> y(bi) 0.25 % x(Al,M1)
> m(bi) 0.02 % x(Mn,M1) = x(Mn,M2)
> Q(bi) 0.14 % order parameter 3({Fe/(Fe + Mg)}bulk - {Fe/(Fe + Mg)}M2)
>
>% --------------------------------------------------
>
> p(phl) 2 2 1 1 -1 x 1 2 -1 y -1 m
> 2 0 1 -2/3 Q 1 1 -1 m
>
> p(ann) 1 2 0 2 1 x -1/3 Q 1 1 -1 m
>
> p(east) 1 1 0 1 1 y
>
> p(mnbi) 1 1 0 1 1 m
>
> p(obi) 2 2 0 1 -1 x 0 1 1 y
> 2 0 1 1 Q 1 1 -1 m
>
>% --------------------------------------------------
>
> sf
>
> W(phl,ann) 9 0 0
> W(phl,east) 10 0 0
> W(phl,mnbi) 0 0 0
> W(phl,obi) 3 0 0
> W(ann,east) -1 0 0
> W(ann,mnbi) 0 0 0
> W(ann,obi) 6 0 0
> W(east,mnbi) 0 0 0
> W(east,obi) 10 0 0
> W(mnbi,obi) 0 0 0
>
>% --------------------------------------------------
> 9 % no of site fractions
>
> x(Al,M1) 1 1 0 1 1 y
> x(Fe,M1) 2 2 0 1 1 x 1 2 -1 y -1 m
> 2 0 1 2/3 Q 1 1 -1 m
> x(Mg,M1) 2 2 1 1 -1 x 1 2 -1 y -1 m
> 2 0 1 -2/3 Q 1 1 -1 m
> x(Mn,M1) 1 1 0 1 1 m
>
> x(Fe,M2) 1 2 0 2 1 x -1/3 Q 1 1 -1 m
> x(Mg,M2) 1 2 1 2 -1 x 1/3 Q 1 1 -1 m
> x(Mn,M2) 1 1 0 1 1 m
>
> x(Al,T1) 1 1 1/2 1 1/2 y
> x(Si,T1) 1 1 1/2 1 -1/2 y
>
>% --------------------------------------------------
>
> phl 4 4 x(Mg,M1) 1 x(Mg,M2) 2 x(Al,T1) 1 x(Si,T1) 1
>
> ann 4 4 x(Fe,M1) 1 x(Fe,M2) 2 x(Al,T1) 1 x(Si,T1) 1
>
> east 1 3 x(Al,M1) 1 x(Mg,M2) 2 x(Al,T1) 2
>
> mnbi 4 4 x(Mn,M1) 1 x(Mn,M2) 2 x(Al,T1) 1 x(Si,T1) 1
>
> obi 4 4 x(Fe,M1) 1 x(Mg,M2) 2 x(Al,T1) 1 x(Si,T1) 1
> make 2 phl 2/3 ann 1/3
> DQF -10.73 0 0
>
>
>% ==================Garnet======================================
>
>g 4
> x(g) 0.9334 % Fe/(Fe+Mg)
> z(g) 0.1196 % Ca/(Fe+Mg+Ca+Mn)
> m(g) 0.3206 % Mn/(Fe+Mg+Ca+Mn)
>% --------------------------------------------------
>
> p(gr) 1 1 0 1 1 z
> p(alm) 1 2 1 2 -1 z -1 m 0 1 1 x
> p(py) 1 2 1 2 -1 z -1 m 1 1 -1 x
> p(spss) 1 1 0 1 1 m
>
>% --------------------------------------------------
> sf
>
> W(gr,alm) 0 0 0
> W(gr,py) 33 0 0
> W(gr,spss) 0 0 0
> W(alm,py) 2.5 0 0
> W(alm,spss) 0 0 0
> W(py,spss) 0 0 0
>
>% --------------------------------------------------
> 4
>
> xFeM1 1 2 1 2 -1 z -1 m 0 1 1 x
>
> xMgM1 1 2 1 2 -1 z -1 m 1 1 -1 x
>
> xCaM1 1 1 0 1 1 z
>
> xMnM1 1 1 0 1 1 m
>
>% --------------------------------------------------
>
> gr 1 1 xCaM1 3
>
> alm 1 1 xFeM1 3
>
> py 1 1 xMgM1 3
>
> spss 1 1 xMnM1 3
>
>
>
>%=============Plagioclase will cope peristerite===================
>
>% from ternary plag mode for Cbar1 ASF
>
>pl 2
>
> ca(pl) 0.1614
>% --------------------------------------------------
>
> p(ab) 1 1 1 1 -1 ca
> p(an) 1 1 0 1 1 ca
>
>% --------------------------------------------------
> asf
>
> w(aban) 3.1 0 0
>
> ab 0.643 0 0
> an 1.0 0 0
>
>% --------------------------------------------------
> 2
>
> x(Na) 1 1 1 1 -1 ca
> x(Ca) 1 1 0 1 1 ca
>
>% --------------------------------------------------
>
> abh 1 1 x(Na) 1
> an 1 1 x(Ca) 1
> DQF 7.03 -0.00466 0
>
>
>% ===============Pure phases ==========================
>
>q ab H2O cz and sill ky % ab, with pl above, allows peristerite to be handled
>
>%=============================================================================
>
>*
>% +++++++++++++++++++++++ Scripts +++++++++++++++++++++++++
>
>incax no
>incthermo no
>incnler no
>
>moreprec
>
>fluidpresent yes
>fluidexcess yes
>
>setexcess q pl mu
>setallcomps no
>
>ignore no
>
>calctatp no
>
>setdefTwindow 50 900
>setdefPwindow 0.1 10
>
>setiso no
>seta no
>setmu no
>exbuff no
>
>pseudosection yes
>
>% -----------------------------------------------
>% JW17 XRF mole% of oxides analysis, without CO2
>% -----------------------------------------------
>% SiO2 Al2O3 CaO MgO FeO K2O Na2O MnO
>setbulk yes 79.37 9.25 0.93 1.87 2.94 2.01 2.95 0.04
>% -----------------------------------------------
>printbulkinfo yes
>
>setmodeiso no
>zeromodeiso no
>
>calcg no
>dogmin no
>
>calcsdnle no
>project no
>setproject no
>projcomp no
>
>smath no
>xinsmath no
>tabsmath no
>txmath no
>cmath no
>
>drawpd yes
>
>*
>
>% +++++++++++++++++++++++ Meanings of Scripts +++++++++++++++++++++++++
>
>%ignore ask % specifies phases to ignore this run
>%calcsdnle yes % whether to pervorm uncertainty propagation on
>calculations
>%fluidpresent ask %whether H2O or CO2 in the datafile means fluid present
>%fluidexcess ask % whether fluid is in excess
>%setexcess ask %amu0 defining other phases in excess
>%calctatp ask % whether to calculate T at given P for P-T lines
>%setdefPwindow allows the user to define the default P window for
>calculations
>%setdefTwindow allows the user to define the default T window for
>calculations
>
>%setPwindow ask % allows the user to define the P range for calculations
>%setTwindow ask % allows the user to define the T range for calculations
>
>%setallcomps NO INFO
>%moreprec no % WHAT DOES THIS DO?
>%calcg no % WHAT DOES THIS DO?
>
>%printbulkinfo ask % prints bulk rock information in th log file
>for buffering calculations
>%pseudosection ask % whether to generate pseudosection information
>%setmodeiso ask % allows the setting of mode isopleths
>%zeromodeiso ask % allows the setting of zero mode isopleths
>%setiso no % setiso x(CO2) whether to calculation composition
>isopleths in calculations
>%exbuff no % allows external buffering calculations
>involving H2O-CO2 fluids
>%setmu no % whether to set chemical potentials in calculations
> % setmu K2O
>%incnler no % whether to include the set of end-member
>reactions in the log file
>%incthermo no % whether to include tables of thermo data in the log file
>%incax no % whether to include the a-x relationships in
>the log file
>%seta no % whether to set activities in calculations
> % seta H2O
>%project no % whether to project phases onto a compatibility diagram
>%setproject no % allows the user to define the compatibilitiy
>diagram (projection plane)
>%projcomp no % whether to project bulk compositions onto the
>compatibility diagram
>
> %Grs(0.051);Alm(0.691);Prp(0.165);Sps(0.093)
>
>% H2O SiO2 Al2O3 CaO MgO FeO K2O
>Na2O TiO2 MnO
>%setbulk
>ask %35 66.016 15.046 0.628 5.474 8.678 2.240 1.023
>0.711 0.1215 %XRF, With TiO2
>
>% Al2O3 CaO MgO FeO K2O Na2O TiO2 MnO
>-- MnNCKFMASHT order
>% setbulk
>yes 15.046 0.628 5.474 8.678 2.240 1.023 0.711 0.1215 %XRF, With TiO2
>
>
>%----------- Output Switches
>%smath no % places calculated coordinates into another file
>for usein mathematica
>%xinsmath no
>%tabsmath no
>%cmath no % places compatibility diagram coordinates into another file
>% txmath yes
>drawpd yes % places caluclated coordinates into another file for
>use in drawpd
>%infolevel 2
>%-----------
>
>%oldmethod no
>
>*
==========================
Building DP313
Mawson Laboratories
University of Adelaide
South Australia 5005
Ph: +61 8 8303 4886
Fax +61 8 8303 4364
http://www.ees.adelaide.edu.au/research/geology/cerg/members/staff/dkelsey.html
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