% ====================================================================
% tc-ig47NCKFMASHTOCr
%
% The igneous set of x-eos in NCKFMASHTOCr, 
% formatted for tc3.47 and older.
%
% Formerly provided as tc-KNCFMASHTOCr
% Renamed by ecrg 29-11-19 in new website format.
%
% This file checked and uploaded by ecrg 23-01-2022
%    (see version notes for details).
% ====================================================================
%
% Silicate melt (hydrous): KNCFMASHTOCr
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. 
% Journal of Petrology 59, 881-900. DOI: 10.1093/petrology/egy048. 
%
%  E-m    Formula		                 Mixing sites			         
%	              M                F                                            A     V
%	              Al Ca Mg_4 Fe_4  AlSi_2 AlSi Si Si_2 Si_4 Cr Ti Fe3 CaAl_2Si  Na K  v_2 H_2
%  qL	  Si4O8	                          0    0    0   0    1  0  0   0    0              1   0
%  slL    Al2SiO5     1   0   0   0       0    1    0   0    0  0  0   0    0              1   0
%  woL    CaSiO3      0   1   0   0       0    0    1   0    0  0  0   0    0              1   0
%  foL    Mg4Si2O8    0   0   1   0       0    0    0   1    0  0  0   0    0              1   0
%  faL    Fe4Si2O8    0   0   0   1       0    0    0   1    0  0  0   0    0              1   0
%  jdL    NaAlSi2O6                       1    0    0   0    0  0  0   0    0        1 0   1   0
%  hmL    FeO1.5                          0    0    0   0    0  0  0   1    0              1   0       
%  ekL    CrO1.5                          0    0    0   0    0  1  0   0    0              1   0   
%  tiL    TiO2                            0    0    0   0    0  0  1   0    0              1   0
%  kjL    KAlSi2O6                        1    0    0   0    0  0  0   0    0        0 1   1   0
%  ctL    CaAl2SiO6*                      0    0    0   0    0  0  0   0    1              1   0  - modifies speciation
%  h2oL   H2O                                                                              0   1
%
%  wo -> CaSiO3 / denom
%  sl -> Al2SiO5 / denom
%  fo -> Mg4Si2O8 / denom 
%  fa -> Fe4Si2O8 / denom
%  jd -> NaAlSi2O6 / denom
%  hm -> FeO1.5 / denom
%  ek -> CrO1.5 / denom
%  ti -> TiO2 / denom
%  kj -> KAlSi2O6 / denom
%  h2o -> H2O / denom
%  yctL -> CaAl2SiO6 / denom           - speciation variable
%
%  where denom = Si4O8 + Al2SiO5 + CaSiO3 + Mg4Si2O8 + Fe4Si2O8 +
%                    NaAlSi2O6 + FeO1.5 + CrO1.5 + TiO2 + KAlSi2O6 + H2O + CaAl2SiO6 
%
% *The CaAl2SiO6 species, ctL, is made via the reaction ctL = woL + slL - 1/4 qL
%
% --------------------------------------------------

liq 12 1 
      wo(L)  0.2
      sl(L)  0.2   
      fo(L)  0.1
      fa(L)  0.1
      jd(L)  0.05
      hm(L)  0.001
      ek(L)  0.001
      ti(L)  0.001
      kj(L)  0.001
      yct(L)  0.001    isQ   % isQ = this is an order parameter
      h2o(L)  0.001


%-------------------------------------------------------------------

p(qL)   2  1    1  10 -1  wo  -1  sl -1  jd -1  fa -1 fo -1 hm -1 ek -1 ti -1 kj -1 h2o
	    2       0  1  1/4 yct     4  10 -3 ek -3 fa -3 fo -3 hm -3 jd -3 kj -3 sl -3 ti -3 wo -3 h2o

p(slL)  3  1    0  1  1  sl
	    2    0  1  3/4  yct   0 1 1 sl
	    1    0  1 -1  yct
p(woL)  3  1    0  1  1  wo
	    2    0  1  3/4  yct   0 1 1 wo
	    1    0  1 -1  yct
p(foL)  2  1    0  1  1  fo
        2    0  1  3/4  yct   0 1 1 fo
p(faL)  2  1    0  1  1  fa
        2    0  1  3/4  yct   0 1 1 fa
p(jdL)  2  1    0  1  1  jd
        2    0  1  3/4  yct   0 1 1 jd
p(hmL)  2  1    0  1  1  hm
        2    0  1  3/4  yct   0 1 1 hm
p(ekL)  2  1    0  1  1  ek
        2    0  1  3/4  yct   0 1 1 ek
p(tiL)  2  1    0  1  1  ti
        2    0  1  3/4  yct   0 1 1 ti
p(kjL)  2  1    0  1  1  kj
        2    0  1  3/4  yct   0 1 1 kj
p(ctL)  1  1    0  1  1  yct
p(h2oL) 2  1    0  1  1  h2o
        2    0  1  3/4  yct   0 1 1 h2o

% --------------------------------------------------
   asf

   W(qL,slL)    9.5   0  -0.10 
   W(qL,woL)  -10.3   0   0   
   W(qL,foL)  -26.5   0  -3.12  
   W(qL,faL)  -12.0   0  -0.55  
   W(qL,jdL)  -15.1   0  -0.13  
   W(qL,hmL)     20   0   0  
   W(qL,ekL)      0   0   0  
   W(qL,tiL)   24.6   0   0  
   W(qL,kjL)  -17.8   0  -0.05  
   W(qL,ctL)  -14.6   0   0 
   W(qL,h2oL)  17.8   0  -0.61   

   W(slL,woL) -26.5   0   0.85     
   W(slL,foL)   2.2   0   0  
   W(slL,faL)   2.5   0   0  
   W(slL,jdL)  16.8   0   0  
   W(slL,hmL)    -5   0   0 
   W(slL,ekL)     0   0   0 
   W(slL,tiL)  15.2   0  -0.04        
   W(slL,kjL)   7.0   0   0 
   W(slL,ctL)   4.0   0   0 
   W(slL,h2oL) 23.7   0  -0.94   

   W(woL,foL)  25.5   0   0.11
   W(woL,faL)  14.0   0   0
   W(woL,jdL)  -1.2   0   0       
   W(woL,hmL)     0   0   0  
   W(woL,ekL)     0   0   0  
   W(woL,tiL)  18.0   0   0 
   W(woL,kjL)  -1.1   0   0         
   W(woL,ctL)   9.5   0   0         
   W(woL,h2oL) 40.3   0  -0.86     

   W(foL,faL)  18.0   0   0
   W(foL,jdL)   1.5   0   0
   W(foL,hmL)     0   0   0  
   W(foL,ekL)     0   0   0  
   W(foL,tiL)   7.5   0   0 
   W(foL,kjL)   3.0   0   0  
   W(foL,ctL)  -5.6   0   0 
   W(foL,h2oL)  9.4   0  -1.58 
 
   W(faL,jdL)   7.5   0  -0.05  
   W(faL,hmL)   -30   0   0  
   W(faL,ekL)     0   0   0  
   W(faL,tiL)   6.7   0   0  
   W(faL,kjL)  10.0   0   0  
   W(faL,ctL)  -6.5   0   0  
   W(faL,h2oL)  9.2   0  -1.58  

   W(jdL,hmL)    10   0   0  
   W(jdL,ekL)     0   0   0  
   W(jdL,tiL)  16.5   0   0.14 
   W(jdL,kjL)  -5.9   0   0 
   W(jdL,ctL)   7.6   0   0 
   W(jdL,h2oL) -8.3   0  -0.06

   W(hmL,ekL)     0   0   0  
   W(hmL,tiL)     0   0   0 
   W(hmL,kjL)    10   0   0 
   W(hmL,ctL)     0   0   0 
   W(hmL,h2oL)  60.0   0  -0.66 

   W(ekL,tiL)     0   0   0 
   W(ekL,kjL)     0   0   0 
   W(ekL,ctL)     0   0   0 
   W(ekL,h2oL)  30.0   0  -0.66 

   W(tiL,kjL)   9.0   0   0  
   W(tiL,ctL)     0   0   0  
   W(tiL,h2oL)  30.0   0  -0.60

   W(kjL,ctL)   -5.6   0   0  
   W(kjL,h2oL)  -0.1   0   0.22

   W(ctL,h2oL)  17.3   0   0.05

qL   100  0  0
slL  120  0  0
woL  140  0  0
foL  240  0  0
faL  100  0  0
jdL  120  0  0
hmL  100  0  0
ekL  100  0  0
tiL  100  0  0
kjL  100  0  0
ctL  100  0  0
h2oL 100  0  0

% --------------------------------------------------
   18  
% macroscopic terms
   pq   2  1    1  10 -1  wo  -1  sl -1  jd -1  fa -1 fo -1 hm -1 ek -1 ti -1 kj -1 h2o
	    2       0  1  1/4 yct     4  10 -3 ek -3 fa -3 fo -3 hm -3 jd -3 kj -3 sl -3 ti -3 wo -3 h2o

   psl  3  1    0  1  1  sl
	    2    0  1  3/4  yct   0 1 1 sl
	    1    0  1 -1  yct
   pwo  3  1    0  1  1  wo
	    2    0  1  3/4  yct   0 1 1 wo
	    1    0  1 -1  yct
   pjd  2  1    0  1  1  jd
        2    0  1  3/4  yct   0 1 1 jd
   phm  2  1    0  1  1  hm
        2    0  1  3/4  yct   0 1 1 hm
   pek  2  1    0  1  1  ek
        2    0  1  3/4  yct   0 1 1 ek
   pti  2  1    0  1  1  ti
        2    0  1  3/4  yct   0 1 1 ti
   pkj  2  1    0  1  1  kj
        2    0  1  3/4  yct   0 1 1 kj
   pct  1  1    0  1  1  yct
   pol  2  1    0  2  1  fo 1 fa              % prop 'ol' = fo + fa
        2    0  1  3/4  yct   0 2 1 fo 1 fa
        
   sumT 2  1    1  1 -1  h2o
        2    0  1 -3/4  yct   0  1  1  h2o

% microscopic terms
   mgM   1 1      0  1  4  fo 
   feM   1 1      0  1  4  fa 
   CaM   1 1      0  1  1  wo 
   AlM   1 1      0  1  1  sl
      
   sumM  1 1      0  4  4  fo  4  fa  1  sl  1 wo

   xh   1  1    0  1  1  h2o
   xv   1  1    1  1 -1  h2o


% --------------------------------------------------
% ideal mixing activities
   
 qL      1  3    xv  2   sumT -1     pq  1   
   make  1  qL 4
   DQF    0.22   0   -0.059
      
slL     1  5    xv  2  sumT -1      psl 1  AlM  1 sumM -1  
    make  1  silL 1
    DQF   6.20  0  -0.318

 woL     1  5    xv  2  sumT -1      pwo 1  CaM  1  sumM -1 
   make  1  woL 1
   DQF  -0.45  0   -0.114

 foL     1  5    xv  2  sumT -1      pol 1  mgM  4  sumM -4
   make  1  foL 2
   DQF  8.67  0  -0.131

 faL     1  5    xv  2  sumT -1      pol 1  feM  4  sumM -4
   make  1  faL 2
   DQF  13.70  0  -0.055

 jdL     1  3    xv  2  sumT -1      pjd 1 
   make  2  abL  1  qL -1
   DQF  12.19  0  -0.089  

 hmL     1  3    xv  2  sumT -1      phm  1
   make  1 hemL 1/2
   DQF  3.30  0  -0.032 

 ekL     1  3    xv  2  sumT -1      pek  1
   make  1 eskL 1/2
   DQF  24.85  0  0.245   

 tiL     1  3    xv  2  sumT -1      pti  1
   make  1  ruL 1
   DQF  5.58  0    -0.489

 kjL     1  3    xv  2  sumT -1      pkj 1
   make  2  kspL  1  qL -1
   DQF  11.98  0  -0.210  

 ctL     1  3    xv  2  sumT -1      pct 1
   make  3  woL  1  silL  1  qL -1
   DQF  -108.3  0.055  0.053    

  h2oL    1  1    xh 2
   make   1  h2oL 1
   DQF    3.20  -0.0039  0.00087
      

% ====================================================================
% Aqueous fluid: KNCFMASTOCr
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. Journal of Petrology 59, 881-900. 
%
% All end-members except H2O mix together on one "site" as simple 
% molecular mixing units. H2O occupies a second mixing unit with 
% its entropic contribution doubled.
%
% End-members other than H2O are constructed by modifying the 
% properties of "melt end-members". However the model does not allow 
% for complete solution between silicate melt and aqueous fluid.
%
%  wo -> CaSiO3 / denom
%  sl -> Al2SiO5 / denom
%  fo -> Mg4Si2O8 / denom 
%  fa -> Fe4Si2O8 / denom
%  jd -> NaAlSi2O6 / denom
%  hm -> FeO1.5 / denom
%  ek -> CrO1.5 / denom
%  ti -> TiO2 / denom
%  kj -> KAlSi2O6 / denom
%  h2o -> H2O / denom
%
%  where denom = Si4O8 + Al2SiO5 + CaSiO3 + Mg4Si2O8 + Fe4Si2O8 +
%                    NaAlSi2O6 + FeO1.5 + CrO1.5 + TiO2 + KAlSi2O6 + H2O
%
% --------------------------------------------------

fl 11 1 
      wo(fl)  0.002
      sl(fl)  0.002   
      fo(fl)  0.002
      fa(fl)  0.002
      jd(fl)  0.002
      hm(fl)  0.001
      ek(fl)  0.001
      ti(fl)  0.001
      kj(fl)  0.002
      h2o(fl)  0.95

%-------------------------------------------------------------------

p(qL)   1  1    1  10 -1  wo  -1  sl -1 fo -1 fa -1 jd -1 hm -1 ek -1 ti -1 kj -1 h2o  
p(slL)  1  1    0  1  1  sl
p(woL)  1  1    0  1  1  wo
p(foL)  1  1    0  1  1  fo
p(faL)  1  1    0  1  1  fa
p(jdL)  1  1    0  1  1  jd
p(hmL)  1  1    0  1  1  hm
p(ekL)  1  1    0  1  1  ek
p(tiL)  1  1    0  1  1  ti
p(kjL)  1  1    0  1  1  kj
p(H2O)  1  1    0  1  1  h2o

% --------------------------------------------------
   sf

   W(qL,slL)     0   0   0 
   W(qL,woL)     0   0   0   
   W(qL,foL)     0   0   0  
   W(qL,faL)     0   0   0  
   W(qL,jdL)     0   0   0  
   W(qL,hmL)     0   0   0  
   W(qL,ekL)     0   0   0  
   W(qL,tiL)     0   0   0  
   W(qL,kjL)     0   0   0 
   W(qL,H2O)  59.0   0  -0.82   

   W(slL,woL)      0   0   0    
   W(slL,foL)      0   0   0
   W(slL,faL)      0   0   0
   W(slL,jdL)      0   0   0
   W(slL,hmL)      0   0   0
   W(slL,ekL)      0   0   0
   W(slL,tiL)      0   0   0    
   W(slL,kjL)      0   0   0
   W(slL,H2O)   57.6   0  -0.80   

   W(woL,foL)     0   0   0
   W(woL,faL)     0   0   0
   W(woL,jdL)     0   0   0     
   W(woL,hmL)     0   0   0
   W(woL,ekL)     0   0   0
   W(woL,tiL)     0   0   0
   W(woL,kjL)     0   0   0       
   W(woL,H2O)  72.2   0  -0.67     

   W(foL,faL)     0   0   0
   W(foL,jdL)     0   0   0
   W(foL,hmL)     0   0   0
   W(foL,ekL)     0   0   0
   W(foL,tiL)     0   0   0
   W(foL,kjL)     0   0   0
   W(foL,H2O)  71.7   0  -1.10   
 
   W(faL,jdL)     0   0   0  
   W(faL,hmL)     0   0   0  
   W(faL,ekL)     0   0   0  
   W(faL,tiL)     0   0   0  
   W(faL,kjL)     0   0   0  
   W(faL,H2O)  71.7   0  -1.10  

   W(jdL,hmL)     0   0   0  
   W(jdL,ekL)     0   0   0  
   W(jdL,tiL)     0   0   0 
   W(jdL,kjL)     0   0   0 
   W(jdL,H2O)  57.0   0  -0.79

   W(hmL,ekL)      0   0   0  
   W(hmL,tiL)      0   0   0 
   W(hmL,kjL)      0   0   0 
   W(hmL,H2O)   73.0   0  -0.66 

   W(ekL,tiL)      0   0   0 
   W(ekL,kjL)      0   0   0 
   W(ekL,H2O)   73.0   0  -0.66 

   W(tiL,kjL)      0   0   0  
   W(tiL,H2O)   75.0   0  -0.67

   W(kjL,H2O)   44.9   0  -1.19
    
% --------------------------------------------------
   12   

   pq    1 1      1  10 -1  wo  -1  sl -1 fo -1 fa -1 jd -1 hm -1 ek -1 ti -1 kj -1 h2o
   
   psl   1 1      0  1  1  sl
   
   pwo   1 1      0  1  1  wo 
   
   pfo   1 1      0  1  1  fo 
   
   pfa   1 1      0  1  1  fa 

   pjd   1 1      0  1  1  jd

   phm   1 1      0  1  1  hm 

   pek   1 1      0  1  1  ek 
   
   pti   1 1      0  1  1  ti 

   pkj   1 1      0  1  1  kj 

   ph2o   1 1     0  1  1  h2o 

   fac   1 1      1  1 -1  h2o

% --------------------------------------------------
% ideal mixing activities
   
 qL      1  2    fac  1   pq  1   
   make  1  qL 4
  DQF    2.10   0   -0.051
      
 slL     1  2      fac  1   psl 1
   make  1  silL 1
    DQF   6.72  0  -0.313

 woL     1  2      fac  1   pwo 1
   make  1  woL 1
    DQF   0.22  0   -0.120

 foL     1  2      fac  1   pfo  1
   make  1  foL 2
   DQF  8.59  0  -0.136

 faL     1  2      fac  1   pfa  1
   make  1  faL 2
   DQF  13.56  0  -0.052

 jdL     1  2      fac  1   pjd 1
   make  2  abL  1  qL -1
   DQF  12.32  0  -0.099  

 hmL     1  2      fac  1   phm  1
   make  1 hemL 1/2
   DQF  4.05  0  -0.077 

 ekL     1  2      fac  1   pek  1
   make  1 eskL 1/2
   DQF  24.75  0  0.245   

 tiL     1  2      fac  1   pti  1
   make  1  ruL 1
   DQF  5.60  0    -0.489

 kjL     1  2     fac  1    pkj 1
   make  2  kspL  1  qL -1
   DQF  12.88  0  -0.227  
 
  H2O    1  1      ph2o 2
   make   1  H2O 1

% =================================================================



% =================================================================
% ternary feldspar, “4TR” model, with plagioclase-friendly 
%         parameterisation.
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%                      A                   TB*            
%                      Na    Ca    K       Al    Si      
% ab    NaAlSi3O8      1     0     0       1     3       
% san   KAlSi3O8       0     0     1       1     3       
% an    CaAl2Si2O8     0     1     0       2     2     
% *use 1/4 entropy of mixing from TB-sites  
%
% ca -> xCaA
% k -> xKA
% -------------------------------------------------

pl4tr  3  1

    ca(pl4tr) 0.8
    k(pl4tr)  0.03
    
% --------------------------------------------------

   p(ab)   1 1    1 2 -1 k -1 ca
   p(an)   1 1    0 1  1 ca
   p(san)  1 1    0 1  1 k
   
% --------------------------------------------------
   asf
     W(ab,an)   14.6 -0.00935 -0.04
     W(ab,san)  24.1 -0.00957  0.338
     W(an,san)  48.5    0     -0.13
    
    ab   0.674    0  0
    an   0.550    0  0
    san  1.000    0  0
    
% --------------------------------------------------
5
   xNaA       1 1    1  2  -1  ca  -1  k
   xCaA       1 1    0  1  1  ca
   xKA        1 1    0  1  1  k
   xAlTB      1 1    1/4  1  1/4  ca
   xSiTB      1 1    3/4  1  -1/4  ca

% --------------------------------------------------

  ab      1.754765  3  xNaA 1  xAlTB 1/4  xSiTB 3/4 
 
  an      2         3  xCaA 1  xAlTB 1/2  xSiTB 1/2  

  san     1.754765  3  xKA  1  xAlTB 1/4  xSiTB 3/4  
% ==================================================================================



% =================================================================
% ternary feldspar, “4TR” model, with K-feldspar-friendly 
%         parameterisation.
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%                      A                   TB*            
%                      Na    Ca    K       Al    Si      
% ab    NaAlSi3O8      1     0     0       1     3       
% san   KAlSi3O8       0     0     1       1     3       
% an    CaAl2Si2O8     0     1     0       2     2     
% *use 1/4 entropy of mixing from TB-sites  
%
% na -> xNaA
% ca -> xCaA
% -------------------------------------------------

k4tr  3  1

    na(k4tr)  0.03
    ca(k4tr)  0.8
    
% --------------------------------------------------

   p(ab)   1 1    0 1  1 na
   p(an)   1 1    0 1  1 ca
   p(san)  1 1    1 2 -1 na -1 ca
   
% --------------------------------------------------
   asf
     W(ab,an)   14.6 -0.00935 -0.04
     W(ab,san)  24.1 -0.00957  0.338
     W(an,san)  48.5    0     -0.13
    
    ab   0.674    0  0
    an   0.550    0  0
    san  1.000    0  0
    
% --------------------------------------------------
5
   xNaA       1 1    0 1  1 na
   xCaA       1 1    0 1  1 ca
   xKA        1 1    1 2 -1 na -1 ca
   xAlTB      1 1    1/4  1  1/4  ca
   xSiTB      1 1    3/4  1  -1/4  ca

% --------------------------------------------------

  ab      1.754765  3  xNaA 1  xAlTB 1/4  xSiTB 3/4 
 
  an      2         3  xCaA 1  xAlTB 1/2  xSiTB 1/2  

  san     1.754765  3  xKA  1  xAlTB 1/4  xSiTB 3/4  
% =================================================================



% ====================================================================
% ternary plag:   Ibar1 ASF

% Holland, TJB & Powell, R (2003) Activity-composition relations for phases in
% petrological calculations: an asymmetric multicomponent formulation. Contributions
% to Mineralogy and Petrology, 145, 492-501. 

%  REPLACED BY PL4TR

pli 3  1
    ca(pli) 0.8
    k(pli) 0.03
    
% --------------------------------------------------

   p(abh)   1 1    1 2 -1 k -1 ca
   p(an)    1 1    0 1  1 ca
   p(san)   1 1    0 1  1 k
   
% --------------------------------------------------

   asf
     W(abh,an)   15   0     0
     W(abh,san)  25.1 -0.0108  0.338
     W(an,san)   40   0     0
     
    abh   0.643  0  0
    an   1.0    0  0
    san  1.0    0  0
    
% --------------------------------------------------

   3
   x(K)     1 1    0 1  1 k
   x(Na)    1 1    1 2 -1 k -1 ca
   x(Ca)    1 1    0 1  1 ca
% --------------------------------------------------

   abh      1 1     x(Na) 1
      make  1   abh   1
      DQF   0.57  -0.00412   0   

   an       1 1     x(Ca) 1
      make  1  an  1
      DQF equilibrium  0  0  0

   san      1 1     x(K) 1
      make  1  san  1
      DQF equilibrium  0  0  0


% ====================================================================
% ternary plag:   Cbar1 ASF  (plc)
%
% Holland, TJB & Powell, R (2003) Activity-composition relations for phases in
% petrological calculations: an asymmetric multicomponent formulation. Contributions
% to Mineralogy and Petrology, 145, 492-501. 

%  REPLACED BY PL4TR

plc 3  1
    ca(plc) 0.2
    k(plc)  0.03
    
% --------------------------------------------------

   p(abh)    1 1    1 2 -1 k -1 ca
   p(an)    1 1    0 1  1 ca
   p(san)   1 1    0 1  1 k
   
% --------------------------------------------------

   asf
     W(abh,an)   3.1   0     0    
     W(abh,san)  25.1 -0.0108  0.338       
     W(an,san)   40   0     0      
     
    abh   0.643  0  0  	      
    an   1.0    0  0
    san  1.0    0  0
    
% --------------------------------------------------

   3
   x(K)     1 1    0 1  1 k
   x(Na)    1 1    1 2 -1 k -1 ca
   x(Ca)    1 1    0 1  1 ca
% --------------------------------------------------

   abh      1 1     x(Na) 1
      make  1  abh  1         
      DQF  0  0  0  		
   an       1 1     x(Ca) 1
      make  1  an  1
      DQF  equilibrium  7.03  -0.00466   0   
   san      1 1     x(K) 1
      make  1  san  1
      DQF  equilibrium  0  0  0


% ==================================================================================
% olivine: CFMS
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. Journal of Petrology, 59, 881-900. 
% 
%         M1            M2                  
%         Mg    Fe      Mg    Fe    Ca      
% mont    1     0       0     0     1       
% fa      0     1       0     1     0       
% fo      1     0       1     0     0       
% cfm     1     0       0     1     0       
%
%              xFeM1 + xFeM2
% x -> -----------------------------
%      xFeM1 + xFeM2 + xMgM1 + xMgM2
%
% c -> xCaM2
%
%              xFeM1
% Q -> x - -------------
%          xFeM1 + xMgM1
% -------------------------------------------------
 
ol  4  1
 
  x(ol)            0.1
  c(ol)            0.002
  Q(ol)            0.01
% -------------------------------------------------
 
p(mont)    1 1    0  1  1  c
 
p(fa)      1 1    0  2  -1  Q   1  x
 
p(fo)      2 1    1  3  -1  c  -1  Q  -1  x
             2    0  1  1  c    0  1  1  x
 
p(cfm)     2 1    0  1  2  Q
             2    0  1  -1  c    0  1  1  x
% -------------------------------------------------
sf
W(mont,fa)    24    0    0
W(mont,fo)    38    0    0
W(mont,cfm)   24    0    0
W(fa,fo)       9    0    0
W(fa,cfm)      4.5    0    0
W(fo,cfm)      4.5    0    0
 
% -------------------------------------------------
5
 
xMgM1      1 1    1  2   1  Q  -1  x
 
xFeM1      1 1    0  2  -1  Q   1  x
 
xMgM2      2 1    1  3  -1  c  -1  Q  -1  x
             2    0  1  1  c    0  1  1  x
 
xFeM2      2 1    0  2   1  Q   1  x
             2    0  1  -1  c    0  1  1  x
 
xCaM2      1 1    0  1  1  c
% -------------------------------------------------
 
mont    1   2  xMgM1 1  xCaM2 1  
  check 0  1  0  
  make  1     mont 1
  DQF      0    0    0
 
fa      1   2  xFeM1 1  xFeM2 1  
  check 1  0  0  
 
fo      1   2  xMgM1 1  xMgM2 1  
  check 0  0  0  
 
cfm     1   2  xMgM1 1  xFeM2 1  
  check 1/2  0  1/2  
  make  2       fa  1/2   fo  1/2
  DQF       0    0    0





% ====================================================================
% ternary ksp (Cbar1 ASF): NCKAS
%
% REPLACED BY PL4TR
% 
% Holland, TJB & Powell, R (2003) Activity-composition relations for phases in
% petrological calculations: an asymmetric multicomponent formulation. Contributions
% to Mineralogy and Petrology, 145, 492-501. 
%
% coded by axe attack on 14 August 2013
%
% 
%                             
%         K     Na    Ca      
% san     1     0     0       
% abh     0     1     0       
% an      0     0     1       
%
% na -> xNa
%
% ca -> xCa
% -------------------------------------------------
 
ksp  3  1
 
  na(ksp)          0.1
  ca(ksp)          0.004
% -------------------------------------------------
 
p(san)     1 1    1  2  -1  ca  -1  na
 
p(abh)     1 1    0  1  1  na
 
p(an)      1 1    0  1  1  ca
% -------------------------------------------------
asf
W(san,abh)              25.1     -0.0108     0.338
W(san,an)                 40           0         0
W(abh,an)                3.1           0         0
 
a(san)                1         0         0
a(abh)            0.643         0         0
a(an)                 1         0         0
% -------------------------------------------------
3
 
xK         1 1    1  2  -1  ca  -1  na
 
xNa        1 1    0  1  1  na
 
xCa        1 1    0  1  1  ca
% -------------------------------------------------
 
san     1    1  xK 1  
  check 0  0  
 
abh     1    1  xNa 1  
  check 1  0  
 
an      1    1  xCa 1  
  check 0  1  
  make  1       an    1
  DQF     equilibrium        7.03       -0.00466           0



% ====================================================================
% muscovite: NCKFMASHO
% 
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 14 August 2013
% 
%         A                   M2A                 M2B           T1            
%         K     Na    Ca      Mg    Fe    Al      Al    Fe3     Si    Al      
% mu      1     0     0       0     0     1       1     0       1     1       
% cel     1     0     0       1     0     0       1     0       2     0       
% fcel    1     0     0       0     1     0       1     0       2     0       
% pa      0     1     0       0     0     1       1     0       1     1       
% ma      0     0     1       0     0     1       1     0       0     2       
% fmu     1     0     0       0     0     1       0     1       1     1       
%
%          xFeM2A
% x -> ---------------
%      xFeM2A + xMgM2A
%
% y -> xAlM2A
%
% f -> xFe3M2B
%
% n -> xNaA
%
% c -> xCaA
% -------------------------------------------------
 
mu  6  1
 
  x(mu)            0.25
  y(mu)            0.6
  f(mu)            0.17
  n(mu)            0.06
  c(mu)            0.004
% -------------------------------------------------
 
p(mu)      1 1    0  4  -1  c  -1  f  -1  n   1  y
 
p(cel)     2 1    1  2  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
p(fcel)    2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  y
 
p(pa)      1 1    0  1  1  n
 
p(ma)      1 1    0  1  1  c
 
p(fmu)     1 1    0  1  1  f
% -------------------------------------------------
asf
W(mu,cel)                  0           0       0.2
W(mu,fcel)                 0           0       0.2
W(mu,pa)               10.12      0.0034     0.353
W(mu,ma)                  35           0         0
W(mu,fmu)                  0           0         0
W(cel,fcel)                0           0         0
W(cel,pa)                 45           0      0.25
W(cel,ma)                 50           0         0
W(cel,fmu)                 0           0         0
W(fcel,pa)                45           0      0.25
W(fcel,ma)                50           0         0
W(fcel,fmu)                0           0         0
W(pa,ma)                  15           0         0
W(pa,fmu)                 30           0         0
W(ma,fmu)                 35           0         0
 
a(mu)              0.63         0         0
a(cel)             0.63         0         0
a(fcel)            0.63         0         0
a(pa)              0.37         0         0
a(ma)              0.63         0         0
a(fmu)             0.63         0         0
% -------------------------------------------------
10
 
xKA        1 1    1  2  -1  c  -1  n
 
xNaA       1 1    0  1  1  n
 
xCaA       1 1    0  1  1  c
 
xMgM2A     2 1    1  2  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
xFeM2A     2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  y
 
xAlM2A     1 1    0  1  1  y
 
xAlM2B     1 1    1  1  -1  f
 
xFe3M2B    1 1    0  1  1  f
 
xSiT1      1 1    1  2  -1/2  c  -1/2  y
 
xAlT1      1 1    0  2  1/2  c  1/2  y
% -------------------------------------------------
 
mu      4    5  xKA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  0  0  
 
cel     1    4  xKA 1  xMgM2A 1  xAlM2B 1  xSiT1 2  
  check 0  0  0  0  0  
 
fcel    1    4  xKA 1  xFeM2A 1  xAlM2B 1  xSiT1 2  
  check 1  0  0  0  0  
 
pa      4    5  xNaA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  1  0  
 
ma      1    4  xCaA 1  xAlM2A 1  xAlM2B 1  xAlT1 2  
  check 0  1  0  0  1  
  make  1       ma    1
  DQF             6.5              0           0
 
fmu     4    5  xKA 1  xAlM2A 1  xFe3M2B 1  xSiT1 1  xAlT1 1  
  check 0  1  1  0  0  
  make  3     andr  1/2   gr -1/2    mu  1
  DQF             25              0           0



% ====================================================================
% biotite: KFMASHTO
% 
% Variant on the model of
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286
% (some changes to W and DQF values).
% 
%         M3                              M12           T             V             
%         Mg    Fe    Fe3   Ti    Al      Mg    Fe      Si    Al      OH    O       
% phl     1     0     0     0     0       2     0       1     1       2     0       
% ann     0     1     0     0     0       0     2       1     1       2     0       
% obi     0     1     0     0     0       2     0       1     1       2     0       
% east    0     0     0     0     1       2     0       0     2       2     0       
% tbi     0     0     0     1     0       2     0       1     1       0     2       
% fbi     0     0     1     0     0       2     0       0     2       2     0       
%
%               2 xFeM12 + xFeM3
% x -> -----------------------------------
%      2 xFeM12 + xFeM3 + 2 xMgM12 + xMgM3
%
% y -> xAlM3
%
% f -> xFe3M3
%
% t -> xTiM3
%
% Q -> 3 (x - xFeM12)
% -------------------------------------------------
 
bi  6  1
 
  x(bi)            0.35
  y(bi)            0.25
  f(bi)            0.04
  t(bi)            0.17
  Q(bi)            0.25
% -------------------------------------------------
 
p(phl)     4 1    1  5  -1  f  -1  t  -1  x  -1  y  -2/3  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
p(ann)     1 1    0  2  -1/3  Q   1  x
 
p(obi)     4 1    0  1   1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
p(east)    1 1    0  1  1  y
 
p(tbi)     1 1    0  1  1  t
 
p(fbi)     1 1    0  1  1  f
% -------------------------------------------------
sf
W(phl,ann)                12           0         0
W(phl,obi)                 4           0         0
W(phl,east)               10           0         0
W(phl,tbi)                30           0         0
W(phl,fbi)                 8           0         0
W(ann,obi)                 8           0         0
W(ann,east)                5           0         0   % was 15
W(ann,tbi)                32           0         0
W(ann,fbi)              13.6           0         0
W(obi,east)                7           0         0
W(obi,tbi)                24           0         0
W(obi,fbi)               5.6           0         0
W(east,tbi)               40           0         0
W(east,fbi)                1           0         0
W(tbi,fbi)                40           0         0
 
% -------------------------------------------------
11
 
xMgM3      4 1    1  5  -1  f  -1  t  -1  x  -1  y  -2/3  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
xFeM3      4 1    0  2   1  x  2/3  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
xFe3M3     1 1    0  1  1  f
 
xTiM3      1 1    0  1  1  t
 
xAlM3      1 1    0  1  1  y
 
xMgM12     1 1    1  2  1/3  Q  -1  x
 
xFeM12     1 1    0  2  -1/3  Q   1  x
 
xSiT       1 1    1/2  2  -1/2  f  -1/2  y
 
xAlT       1 1    1/2  2  1/2  f  1/2  y
 
xOHV       1 1    1  1  -1  t
 
xOV        1 1    0  1  1  t
% -------------------------------------------------
 
phl     4    5  xMgM3 1  xMgM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 0  0  0  0  0  
 
ann     4    5  xFeM3 1  xFeM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 1  0  0  0  0  
  make  1      ann    1
  DQF             -6              0           0    %  was -3
 
obi     4    5  xFeM3 1  xMgM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 1/3  0  0  0  1  
  make  2      ann  1/3  phl  2/3
  DQF              -6.0              0           0  %  was -2
 
east    1    4  xAlM3 1  xMgM12 2  xAlT 2  xOHV 2  
  check 0  1  0  0  0  
 
tbi     4    5  xTiM3 1  xMgM12 2  xSiT 1  xAlT 1  xOV 2  
  check 0  0  0  1  0  
  make  3       br   -1   phl  1    ru  1
  DQF             55              0           0
 
fbi     1    4  xFe3M3 1  xMgM12 2  xAlT 2  xOHV 2  
  check 0  0  1  0  0  
  make  3     andr  1/2  east  1   gr -1/2
  DQF             -3              0           0



% ====================================================================
% garnet: CFMASTOCr
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. Journal of Petrology, 59, 881-900. 
% 
%       M1            M2                    
%       Mg  Fe  Ca    Al  Cr  Fe3 Mg  Ti    
% py    3   0   0     2   0   0   0   0     
% alm   0   3   0     2   0   0   0   0     
% gr    0   0   3     2   0   0   0   0     
% andr  0   0   3     0   0   2   0   0     
% knor  3   0   0     0   2   0   0   0     
% tig   3   0   0     1   0   0   1/2 1/2   
%
%          xFeM1
% x -> -------------
%      xFeM1 + xMgM1
%
% c -> xCaM1
%
% f -> xFe3M2
%
% cr -> xCrM2
%
% t -> xTiM2
% -------------------------------------------------
 
g  6 1
 
  x(g)   0.3
  c(g)   0.2
  f(g)   0.01
  cr(g)  0.01
  t(g)   0.001
% -------------------------------------------------
 
p(py)      2 1    1  4  -1  c  -1  cr  -1  x  -4  t
             2    0  1  1  c    0  1  1  x
 
p(alm)     2 1    0  1   1  x
             2    0  1  -1  c    0  1  1  x
 
p(gr)      1 1    0  2   1  c  -1  f
 
p(andr)    1 1    0  1  1  f
 
p(knor)    1 1    0  1  1  cr
 
p(tig)     1 1    0  1  4  t
% -------------------------------------------------
asf
W(py,alm)       4        0   0.1
W(py,gr)     45.4   -0.010   0.04
W(py,andr)    107   -0.010  -0.036
W(py,knor)    2.0        0   0
W(py,tig)       0  0  0

W(alm,gr)     17.0  -0.010   0.1
W(alm,andr)    65   -0.010   0.039
W(alm,knor)     6        0   0.01
W(alm,tig)      0  0  0

W(gr,andr)      2        0   0
W(gr,knor)      1   -0.010   0.180
W(gr,tig)       0  0  0

W(andr,knor)   63   -0.010   0.10
W(andr,tig)     0  0  0

W(knor,tig)     0  0  0

py   1    0  0
alm  1    0  0
gr   2.5  0  0
andr 2.5  0  0
knor 1    0  0
tig  1    0  0

% -------------------------------------------------
8
 
xMgM1      2 1    1  2  -1  c  -1  x
             2    0  1  1  c    0  1  1  x
 
xFeM1      2 1    0  1   1  x
             2    0  1  -1  c    0  1  1  x
 
xCaM1      1 1    0  1  1  c
 
xAlM2      1 1    1  3  -1  cr  -1  f  -2  t
 
xCrM2      1 1    0  1  1  cr
 
xFe3M2     1 1    0  1  1  f
 
xMgM2      1 1    0  1  1  t
 
xTiM2      1 1    0  1  1  t
% -------------------------------------------------
 
py      1    2  xMgM1 3  xAlM2 2  
  check 0  0  0  0  0  
 
alm     1    2  xFeM1 3  xAlM2 2  
  check 1  0  0  0  0  
 
gr      1    2  xCaM1 3  xAlM2 2  
  check 0  1  0  0  0  
 
andr    1    2  xCaM1 3  xFe3M2 2  
  check 0  1  1  0  0  
 
knor    1    2  xMgM1 3  xCrM2 2  
  check 0  0  0  1  0 
  make  1 knor  1
  DQF   18.2  0  0 
 
tig     8   4  xMgM1 3  xAlM2 1  xMgM2 1/2  xTiM2 1/2  
  check 0  0  0  0  1/4
  make  4  py  1  per 1/2  ru 1/2  cor -1/2
  DQF   46.7  -0.0173  0     % config S

% ========================================================================================
% epidote: CFASHO
%
% Holland, TJB & Powell, R (2011). An improved and
% extended internally consistent thermodynamic dataset
% for phases of petrological interest, involving a
% new equation of state for solids. 
% Journal of Metamorphic Geology, 29, 333-383.

ep 3  1
  f(ep)        0.1
  Q(ep)        0.2   range 0 0.5

p(cz)    1  1    1  2 -1  f  -1  Q
p(ep)    1  1    0  1  2  Q
p(fep)   1  1    0  2  1  f  -1  Q

sf
  W(cz,ep)         1  0  0
  W(cz,fep)        3  0  0
  W(ep,fep)        1  0  0

  4  

  xFeM1   1  1    0  2  1  f  -1  Q
  xAlM1   1  1    1  2 -1  f   1  Q
  xFeM3   1  1    0  2  1  f   1  Q
  xAlM3   1  1    1  2 -1  f  -1  Q

 cz      1  2      xAlM1  1  xAlM3   1
 ep      1  2      xAlM1  1  xFeM3   1
 fep     1  2      xFeM1  1  xFeM3   1

% ====================================================================
% Cordierite: FMASH
% 
% Reparameterised in 
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. Journal of Petrology, 59, 881-900. 
% from
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
%         X             H             
%         Fe    Mg      H2O   v       
% crd     0     2       0     1       
% fcrd    2     0       0     1       
% hcrd    0     2       1     0       
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% h -> xH2OH
% -------------------------------------------------
 
cd  3  1
 
  x(cd)            0.3
  h(cd)            0.7
% -------------------------------------------------
 
p(crd)     1 1    1  2  -1  h  -1  x
 
p(fcrd)    1 1    0  1  1  x
 
p(hcrd)    1 1    0  1  1  h
% -------------------------------------------------
sf
W(crd,fcrd)                6           0         0   % was 8
W(crd,hcrd)                0           0         0
W(fcrd,hcrd)               0           0         0   % was 9
 
% -------------------------------------------------
4
 
xFeX       1 1    0  1  1  x
 
xMgX       1 1    1  1  -1  x
 
xH2OH      1 1    0  1  1  h
 
xvH        1 1    1  1  -1  h
% -------------------------------------------------
 
crd     1    2  xMgX 2  xvH 1  
  check 0  0  
 
fcrd    1    2  xFeX 2  xvH 1  
  check 1  0  
 
hcrd    1    2  xMgX 2  xH2OH 1  
  check 0  1  



% ====================================================================
% Orthopyroxene: NCFMASTOCr
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. Journal of Petrology, 59, 881-900. 
% 
%       M1                        M2                T         
%       Mg  Fe  Al  Fe3 Cr  Ti    Mg  Fe  Ca  Na    Si  Al    
% en    1   0   0   0   0   0     1   0   0   0     2   0     
% fs    0   1   0   0   0   0     0   1   0   0     2   0     
% fm    1   0   0   0   0   0     0   1   0   0     2   0     
% odi   1   0   0   0   0   0     0   0   1   0     2   0     
% mgts  0   0   1   0   0   0     1   0   0   0     1   1     
% cren  0   0   0   0   1   0     1   0   0   0     1   1     
% obuf  1/2 0   0   0   0   1/2   1   0   0   0     1   1     
% mess  0   0   0   1   0   0     1   0   0   0     1   1     
% ojd   0   0   1   0   0   0     0   0   0   1     2   0     
%
%              xFeM1 + xFeM2
% x -> -----------------------------
%      xFeM1 + xFeM2 + xMgM1 + xMgM2
%
% y -> 2 xAlT
%
% c -> xCaM2
%
%               xFeM1
% Q -> -x + -------------
%           xFeM1 + xMgM1
%
% f -> xFe3M1
%
% t -> xTiM1
%
% cr -> xCrM1
%
% j -> xNaM2
% -------------------------------------------------
 
opx  9 1
 
  x(opx)   0.05
  y(opx)   0.006
  c(opx)   0.025
  Q(opx)   0.032  range -1  1
  f(opx)   0.001
  t(opx)   0.001
  cr(opx)  0.001
  j(opx)   0.001 
% -------------------------------------------------
 
p(en)      6 1    1  5  -1  c  -1  j   1  Q  -1  x  -1  y
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
p(fs)      7 1    0  2   1  Q   1  x
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(fm)      7 1    0  1  -2  Q
             2    0  1  2  j    0  1  1  Q
             2    0  1  -2  Q    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  2  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
p(odi)     1 1    0  1  1  c
 
p(mgts)    1 1    0  4  -1  cr  -1  f   1  y  -2  t
 
p(cren)    1 1    0  1  1  cr
 
p(obuf)    1 1    0  1  2  t
 
p(mess)    1 1    0  1  1  f
 
p(ojd)     1 1    0  1  1  j
% -------------------------------------------------
asf
W(en,fs)        7.0  0   0
W(en,fm)          4  0   0
W(en,odi)       29.4  0  0   
W(en,mgts)     12.5  0  -0.04
W(en,cren)        8  0   0
W(en,obuf)        6  0   0
W(en,mess)        8  0   0
W(en,ojd)        35  0   0
W(fs,fm)          4  0   0
W(fs,odi)      21.5  0   0.08
W(fs,mgts)       11  0  -0.15
W(fs,cren)       10  0   0
W(fs,obuf)        7  0   0
W(fs,mess)       10  0   0
W(fs,ojd)        35  0   0
W(fm,odi)        18  0   0.08
W(fm,mgts)       15  0  -0.15
W(fm,cren)       12  0   0
W(fm,obuf)        8  0   0
W(fm,mess)       12  0   0
W(fm,ojd)        35  0   0
W(odi,mgts)    75.5  0  -0.84
W(odi,cren)      20  0   0     
W(odi,obuf)      40  0   0
W(odi,mess)      20  0   0      
W(odi,ojd)       35  0   0
W(mgts,cren)      2  0   0
W(mgts,obuf)     10  0   0
W(mgts,mess)      2  0   0
W(mgts,ojd)       7  0   0
W(cren,obuf)      6  0   0
W(cren,mess)      2  0   0
W(cren,ojd)     -11  0   0     
W(obuf,mess)      6  0   0
W(obuf,ojd)      20  0   0
W(mess,ojd)     -11  0   0     

en   1.0  0  0
fs   1.0  0  0
fm   1.0  0  0
odi  1.2  0  0
mgts 1.0  0  0
cren 1.0  0  0
obuf 1.0  0  0
mess 1.0  0  0
ojd  1.2  0  0

% -------------------------------------------------
12
 
xMgM1      7 1    1  5  -1  j  -1  Q   1  t  -1  x  -1  y
             2    0  1  1  j    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  1  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      7 1    0  2   1  Q   1  x
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  5  -1  cr  -1  f   1  j   1  y  -2  t
 
xFe3M1     1 1    0  1  1  f
 
xCrM1      1 1    0  1  1  cr
 
xTiM1      1 1    0  1  1  t
 
xMgM2      6 1    1  4  -1  c  -1  j   1  Q  -1  x
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
xFeM2      6 1    0  2  -1  Q   1  x
             2    0  1  1  j    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  Q    0  1  1  y
 
xCaM2      1 1    0  1  1  c
 
xNaM2      1 1    0  1  1  j
 
xSiT       1 1    1  1  -1/2  y
 
xAlT       1 1    0  1  1/2  y
% -------------------------------------------------
 
en      1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
  check 0  0  0  0  0  0  0  0  
 
fs      1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
  check 1  0  0  0  0  0  0  0   
 
fm      1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  check 1/2  0  0  -1/2  0  0  0  0  
  make  2  en 1/2  fs 1/2
  DQF   -6.6  0  0
 
odi     1    3  xMgM1 1  xCaM2 1  xSiT 1/2  
  check 0  0  1  0  0  0  0  0 
  make  1  di  1
  DQF     2.8  0  0.005   
 
mgts    1.4142    4  xAlM1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  0  0  0  
 
cren    1.4142    4  xCrM1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  0  1  0  
  make  3  mgts  1  kos  1  jd  -1
  DQF  -25.9  0.0155  0.05        
 
obuf     2.8284   5  xMgM1 1/2  xTiM1 1/2  xMgM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  1/2  0  0  
  make  4       mgts  1   per  1/2    ru  1/2  cor -1/2
  DQF   -5  -0.0051   -0.0061    
 
mess     1.4142    4  xFe3M1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  1  0  0  0  
  make  3       mgts  1   acm  1    jd  -1
  DQF    4.80  0  -0.089         
 
ojd     1    3  xAlM1 1  xNaM2 1  xSiT 1/2  
  check 0  0  0  0  0  0  0  1 
  make  1    jd  1 
  DQF    18.8  0  0           
 
   
   
% ====================================================================
% Clinopyroxene: KNCFMASTOCr
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of peridotites
% through to granites: a simple thermodynamic model in the system
% KNCFMASHTOCr. Journal of Petrology, 59, 881-900. 
% 
%       M1                        M2                    T         
%       Mg  Fe  Al  Fe3 Cr  Ti    Mg  Fe  Ca  Na  K     Si  Al    
% di    1   0   0   0   0   0     0   0   1   0   0     2   0     
% fs    0   1   0   0   0   0     0   1   0   0   0     2   0     
% cats  0   0   1   0   0   0     0   0   1   0   0     1   1     
% crdi  0   0   0   0   1   0     0   0   1   0   0     1   1     
% cess  0   0   0   1   0   0     0   0   1   0   0     1   1     
% cbuf  1/2 0   0   0   0   1/2   0   0   1   0   0     1   1     
% jd    0   0   1   0   0   0     0   0   0   1   0     2   0     
% cen   1   0   0   0   0   0     1   0   0   0   0     2   0     
% cfm   1   0   0   0   0   0     0   1   0   0   0     2   0     
% kjd   0   0   1   0   0   0     0   0   0   0   1     2   0     
%
%              xFeM1 + xFeM2
% x -> -----------------------------
%      xFeM1 + xFeM2 + xMgM1 + xMgM2
%
% y -> 2 xAlT
%
% o -> xFeM2 + xMgM2
%
% n -> xNaM2
%
%               xFeM1
% Q -> -x + -------------
%           xFeM1 + xMgM1
%
% f -> xFe3M1
%
% c -> xCrM1
%
% t -> xTiM1
%
% k -> xKM2
% -------------------------------------------------
 
cpx  10 1
 
  x(cpx)   0.075
  y(cpx)   0.112
  o(cpx)   0.05
  n(cpx)   0.11
  Q(cpx)  -0.0005  range  -1  1
  f(cpx)   0.001
  cr(cpx)  0.001
  t(cpx)   0.001
  k(cpx)   0.001
% -------------------------------------------------
 
p(di)      1 1    1  4  -1  k  -1  n  -1  o  -1  y
 
p(fs)      9 1    0  2   1  Q   1  x
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  k    0  1  1  x
             2    0  1  -1  n    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(cats)    1 1    0  4  -1  cr  -1  f   1  y  -2  t
 
p(crdi)    1 1    0  1  1  cr
 
p(cess)    1 1    0  1  1  f
 
p(cbuf)     1 1    0  1  2  t
 
p(jd)      1 1    0  1  1  n
 
p(cen)     6 1    0  2   1  o   1  Q
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  o    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
p(cfm)     10 1    0  2  -1  x  -2  Q
             2    0  1  2  k    0  1  1  Q
             2    0  1  2  n    0  1  1  Q
             2    0  1  -2  Q    0  1  1  t
             2    0  1  1  k    0  1  1  x
             2    0  1  1  n    0  1  1  x
             2    0  1  1  o    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  2  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
p(kjd)     1 1    0  1  1  k
% -------------------------------------------------
asf
W(di,fs)    25.8  0   0
W(di,cats)   13.0  0  -0.06
W(di,crdi)      8  0   0
W(di,cess)      8  0   0
W(di,cbuf)      8  0   0
W(di,jd)       26  0   0
W(di,cen)    29.8  0   0
W(di,cfm)    20.6  0   0
W(di,kjd)      26  0   0

W(fs,cats)     25  0  -0.1
W(fs,crdi)   38.3  0   0   %  24 - x,  x = -14.3
W(fs,cess)   43.3  0   0   %  24 - y,  y = -19.3
W(fs,cbuf)     24  0   0
W(fs,jd)       24  0   0
W(fs,cen)     2.3  0   0
W(fs,cfm)     3.5  0   0
W(fs,kjd)      24  0   0

W(cats,crdi)    2  0   0
W(cats,cess)    2  0   0
W(cats,cbuf)    6  0   0
W(cats,jd)      6  0   0
W(cats,cen)  45.2  0  -0.35
W(cats,cfm)    27  0  -0.1
W(cats,kjd)     6  0   0

W(crdi,cess)    2  0   0
W(crdi,cbuf)    6  0   0
W(crdi,jd)      3  0   0
W(crdi,cen)  52.3  0   0   %  38 - x
W(crdi,cfm)  40.3  0   0   %  26 - x
W(crdi,kjd)     3  0   0

W(cess,cbuf)    6  0   0
W(cess,jd)      3  0   0
W(cess,cen)  57.3  0   0   %  38 - y
W(cess,cfm)  45.3  0   0   %  26 - y
W(cess,kjd)     3  0   0

W(cbuf,jd)     16  0   0
W(cbuf,cen)    24  0   0
W(cbuf,cfm)    22  0   0
W(cbuf,kjd)    16  0   0

W(jd,cen)      40  0   0
W(jd,cfm)      40  0   0
W(jd,kjd)      28  0   0

W(cen,cfm)      4  0   0
W(cen,kjd)     40  0   0

W(cfm,kjd)     40  0   0


di    1.2  0  0
fs    1.0  0  0
cats  1.9  0  0
crdi  1.9  0  0
cess  1.9  0  0
cbuf  1.9  0  0
jd    1.2  0  0
cen   1.0  0  0
cfm   1.0  0  0
kjd   1.2  0  0
% -------------------------------------------------
13
 
xMgM1      9 1    1  6  -1  k  -1  n  -1  Q   1  t  -1  x  -1  y
             2    0  1  1  k    0  1  1  Q
             2    0  1  1  n    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  1  k    0  1  1  x
             2    0  1  1  n    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  1  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      9 1    0  2   1  Q   1  x
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  k    0  1  1  x
             2    0  1  -1  n    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  6  -1  cr  -1  f   1  k   1  n   1  y  -2  t
 
xFe3M1     1 1    0  1  1  f
 
xCrM1      1 1    0  1  1  cr
 
xTiM1      1 1    0  1  1  t
 
xMgM2      6 1    0  2   1  o   1  Q
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  o    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
xFeM2      6 1    0  1  -1  Q
             2    0  1  1  k    0  1  1  Q
             2    0  1  1  n    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  1  o    0  1  1  x
             2    0  1  1  Q    0  1  1  y
 
xCaM2      1 1    1  3  -1  k  -1  n  -1  o
 
xNaM2      1 1    0  1  1  n
 
xKM2       1 1    0  1  1  k
 
xSiT       1 1    1  1  -1/2  y
 
xAlT       1 1    0  1  1/2  y
% -------------------------------------------------
 
di      1    3  xMgM1 1  xCaM2 1  xSiT 1/2  
  check 0  0  0  0  0  0  0  0  0  
 
fs      1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
  check 1  0  1  0  0  0  0  0  0  
  make 1 fs 1
  DQF    2.1      -0.002      0.045
 
cats    1.4142    4  xAlM1 1  xCaM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  0  0  0  0  
 
crdi    1.4142    4  xCrM1 1  xCaM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  0  1  0  0  
  make   3  cats  1  kos  1  jd -1
  DQF   -4.90  0  0        
 
cess    1.4142    4  xFe3M1 1  xCaM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  1  0  0  0  
  make  3       cats  1   acm  1    jd  -1
  DQF  -3.45  0  0        
 
cbuf     2.8284   5  xMgM1 1/2  xTiM1 1/2  xCaM2 1  xSiT 1/4  xAlT 1/4  
  check 0  1  0  0  0  0  0  1/2  0  
  make  4       cats  1   per  1/2    ru  1/2  cor -1/2
  DQF  -16.2   -0.0012   -0.0050        
 
jd      1    3  xAlM1 1  xNaM2 1  xSiT 1/2  
  check 0  0  0  1  0  0  0  0  0  
 
cen     1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
  check 0  0  1  0  0  0  0  0  0  
  make 1 en 1
  DQF  3.5         -0.002       0.048  
 
cfm     1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  check 1/2  0  1  0  -1/2  0  0  0  0  
  make  2       en  1/2   fs  1/2
  DQF   -1.6     -0.002      0.0465    
 
kjd     1    3  xAlM1 1  xKM2 1  xSiT 1/2  
  check 0  0  0  0  0  0  0  0  1  
  make  3  jd 1  abh -1  san 1
  DQF   11.7   0  0.6



% ====================================================================
% clinoamphibole: NCKFMASHTO
%
% Green, ECR, White, RW, Diener, JFA, Powell, R, Holland, TJB & 
% Palin, RM (2016). Activity-composition relations for the calculation
% of partial melting equilibria in metabasic rocks. 
% Journal of Metamorphic Geology, 34, 845-869.
% 
% 
%         A                   M13           M2                              M4                        T1            V             
%         v     Na    K       Mg    Fe      Mg    Fe    Al    Fe3   Ti      Ca    Mg    Fe    Na      Si    Al      OH    O       
% tr      1     0     0       3     0       2     0     0     0     0       2     0     0     0       4     0       2     0       
% ts      1     0     0       3     0       0     0     2     0     0       2     0     0     0       2     2       2     0       
% parg    0     1     0       3     0       1     0     1     0     0       2     0     0     0       2     2       2     0       
% gl      1     0     0       3     0       0     0     2     0     0       0     0     0     2       4     0       2     0       
% cumm    1     0     0       3     0       2     0     0     0     0       0     2     0     0       4     0       2     0       
% grun    1     0     0       0     3       0     2     0     0     0       0     0     2     0       4     0       2     0       
% a       1     0     0       3     0       0     2     0     0     0       0     0     2     0       4     0       2     0       
% b       1     0     0       0     3       2     0     0     0     0       0     0     2     0       4     0       2     0       
% mrb     1     0     0       3     0       0     0     0     2     0       0     0     0     2       4     0       2     0       
% kprg    0     0     1       3     0       1     0     1     0     0       2     0     0     0       2     2       2     0       
% tts     1     0     0       3     0       0     0     0     0     2       2     0     0     0       2     2       0     2       
     
%
%                     3 xFeM13 + 2 xFeM2 + 2 xFeM4
% x -> -----------------------------------------------------------
%      3 xFeM13 + 2 xFeM2 + 2 xFeM4 + 3 xMgM13 + 2 xMgM2 + 2 xMgM4
%
% y -> xAlM2
%
% z -> xNaM4
%
% a -> xKA + xNaA
%
%         xKA
% k -> ----------
%      xKA + xNaA
%
% c -> xCaM4
%
% f -> xFe3M2
%
% t -> xTiM2
%
%               xFeM13
% Q1 -> x - ---------------
%           xFeM13 + xMgM13
%
%               xFeM2
% Q2 -> x - -------------
%           xFeM2 + xMgM2
% -------------------------------------------------
 
hb  11  1
 
   x(hb)         0.575 
   y(hb)         0.65 
   z(hb)         0.35 
   a(hb)         0.40 
   k(hb)         0.1 
   c(hb)         0.65 
   f(hb)         0.1 
   t(hb)         0.10 
   Q1(hb)        0.0276   range -1 1 %  
   Q2(hb)        0.275    range -1 1  % 
% -------------------------------------------------
 
p(tr)      1 1    0  6  -1/2  a   1  c  -1  f  -1  t  -1  y   1  z
 
p(ts)      1 1    0  4  -1/2  a   1  f   1  y  -1  z
 
p(parg)    2 1    0  1   1  a
             2    0  1  -1  a    0  1  1  k
 
p(gl)      1 1    0  2  -1  f   1  z
 
p(cumm)    6 1    1  5  -1  c  -1  Q2  -1  x  -1  z  -3/2  Q1
             2    0  1  1  f    0  1  1  Q2
             2    0  1  1  Q2    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  z
 
p(grun)    9 1    0  3   1  x  -2  Q2  -5/2  Q1
             2    0  1  2  f    0  1  1  Q2
             2    0  1  2  Q2    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  2  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  y
             2    0  1  1  x    0  1  1  z
 
p(a)       6 1    0  2   1  Q2  5/2  Q1
             2    0  1  -1  f    0  1  1  Q2
             2    0  1  -1  Q2    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  z
 
p(b)       9 1    0  2  2  Q2  3/2  Q1
             2    0  1  -2  f    0  1  1  Q2
             2    0  1  -2  Q2    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -2  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  y
             2    0  1  -1  x    0  1  1  z
 
p(mrb)     1 1    0  1  1  f
 
p(kprg)    1 2    0  1  1  a    0  1  1  k
 
p(tts)     1 1    0  1  1  t
% -------------------------------------------------
asf
W(tr,ts)                  20           0         0
W(tr,parg)                25           0         0
W(tr,gl)                  65           0         0
W(tr,cumm)                45           0         0
W(tr,grun)                75           0         0
W(tr,a)                   57           0         0
W(tr,b)                   63           0         0
W(tr,mrb)                 52           0         0
W(tr,kprg)                30           0         0
W(tr,tts)                 85           0         0
W(ts,parg)               -40           0         0
W(ts,gl)                  25           0         0
W(ts,cumm)                70           0         0
W(ts,grun)                80           0         0
W(ts,a)                   70           0         0
W(ts,b)                 72.5           0         0
W(ts,mrb)                 20           0         0
W(ts,kprg)               -40           0         0
W(ts,tts)                 35	       0         0
W(parg,gl)                50           0         0
W(parg,cumm)              90           0         0
W(parg,grun)           106.7           0         0
W(parg,a)               94.8           0         0
W(parg,b)               94.8           0         0
W(parg,mrb)               40           0         0
W(parg,kprg)               8 	       0         0
W(parg,tts)               15           0         0
W(gl,cumm)               100           0         0
W(gl,grun)             113.5           0         0
W(gl,a)                  100           0         0
W(gl,b)                111.2           0         0
W(gl,mrb)                  0           0         0
W(gl,kprg)                54           0         0
W(gl,tts)                 75           0         0
W(cumm,grun)              33           0         0
W(cumm,a)                 18           0         0
W(cumm,b)                 23           0         0
W(cumm,mrb)               80           0         0
W(cumm,kprg)              87           0         0
W(cumm,tts)              100           0         0
W(grun,a)                 12           0         0
W(grun,b)                  8           0         0
W(grun,mrb)               91           0         0
W(grun,kprg)              96           0         0
W(grun,tts)               65           0         0
W(a,b)                    20           0         0
W(a,mrb)                  80           0         0
W(a,kprg)                 94           0         0
W(a,tts)                  95           0         0
W(b,mrb)                  90           0         0
W(b,kprg)                 94           0         0
W(b,tts)                  95           0         0
W(mrb,kprg)               50           0         0
W(mrb,tts)                50           0         0
W(kprg,tts)               35           0         0
 
a(tr)                 1         0         0
a(ts)               1.5         0         0
a(parg)             1.7         0         0
a(gl)               0.8         0         0
a(cumm)               1         0         0
a(grun)               1         0         0
a(a)                  1         0         0
a(b)                  1         0         0
a(mrb)              0.8         0         0
a(kprg)             1.7         0         0
a(tts)              1.5         0         0
% -------------------------------------------------
18
 
xvA        1 1    1  1  -1  a
 
xNaA       2 1    0  1   1  a
             2    0  1  -1  a    0  1  1  k
 
xKA        1 2    0  1  1  a    0  1  1  k
 
xMgM13     1 1    1  2   1  Q1  -1  x
 
xFeM13     1 1    0  2  -1  Q1   1  x
 
xMgM2      7 1    1  5  -1  f   1  Q2  -1  t  -1  x  -1  y
             2    0  1  -1  f    0  1  1  Q2
             2    0  1  -1  Q2    0  1  1  t
             2    0  1  1  f    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM2      7 1    0  2  -1  Q2   1  x
             2    0  1  1  f    0  1  1  Q2
             2    0  1  1  Q2    0  1  1  t
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  1  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM2      1 1    0  1  1  y
 
xFe3M2     1 1    0  1  1  f
 
xTiM2      1 1    0  1  1  t
 
xCaM4      1 1    0  1  1  c
 
xMgM4      6 1    1  5  -1  c  -1  Q2  -1  x  -1  z  -3/2  Q1
             2    0  1  1  f    0  1  1  Q2
             2    0  1  1  Q2    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  Q2    0  1  1  y
             2    0  1  1  x    0  1  1  z
 
xFeM4      6 1    0  3   1  Q2   1  x  3/2  Q1
             2    0  1  -1  f    0  1  1  Q2
             2    0  1  -1  Q2    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  Q2    0  1  1  y
             2    0  1  -1  x    0  1  1  z
 
xNaM4      1 1    0  1  1  z
 
xSiT1      1 1    1  5  -1/2  f  -1/2  t  -1/2  y  1/2  z  -1/4  a
 
xAlT1      1 1    0  5  1/2  f  1/2  t  1/2  y  -1/2  z  1/4  a
 
xOHV       1 1    1  1  -1  t
 
xOV        1 1    0  1  1  t
% -------------------------------------------------
 
tr      1    6  xvA 1  xMgM13 3  xMgM2 2  xCaM4 2  xSiT1 1  xOHV 2  
  check 0  0  0  0  0  1  0  0  0  0  
 
ts      2    7  xvA 1  xMgM13 3  xAlM2 2  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOHV 2  
  check 0  1  0  0  0  1  0  0  0  0  
  make  1       ts    1
  DQF             10              0           0
 
parg    8    8  xNaA 1  xMgM13 3  xMgM2 1  xAlM2 1  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOHV 2  
  check 0  1/2  0  1  0  1  0  0  0  0  
  make  1     parg    1
  DQF          -10              0           0
 
gl      1    6  xvA 1  xMgM13 3  xAlM2 2  xNaM4 2  xSiT1 1  xOHV 2  
  check 0  1  1  0  0  0  0  0  0  0  
  make  1       gl    1
  DQF           -3              0           0
 
cumm    1    6  xvA 1  xMgM13 3  xMgM2 2  xMgM4 2  xSiT1 1  xOHV 2  
  check 0  0  0  0  0  0  0  0  0  0  
  make  1     cumm    1
  DQF             0              0           0
 
grun    1    6  xvA 1  xFeM13 3  xFeM2 2  xFeM4 2  xSiT1 1  xOHV 2  
  check 1  0  0  0  0  0  0  0  0  0  
  make  1     grun    1
  DQF             -3              0           0
 
a       1    6  xvA 1  xMgM13 3  xFeM2 2  xFeM4 2  xSiT1 1  xOHV 2  
  check 4/7  0  0  0  0  0  0  0  4/7  -3/7  
  make  2     cumm  3/7 grun  4/7
  DQF             -11.2              0           0
 
b       1    6  xvA 1  xFeM13 3  xMgM2 2  xFeM4 2  xSiT1 1  xOHV 2  
  check 5/7  0  0  0  0  0  0  0  -2/7  5/7  
  make  2     cumm  2/7 grun  5/7
  DQF             -13.8              0           0
 
mrb     1    6  xvA 1  xMgM13 3  xFe3M2 2  xNaM4 2  xSiT1 1  xOHV 2  
  check 0  0  1  0  0  0  1  0  0  0  
  make  3      gl 1   gr -1 andr 1
  DQF             0              0           0
 
kprg    8    8  xKA 1  xMgM13 3  xMgM2 1  xAlM2 1  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOHV 2  
  check 0  1/2  0  1  1  1  0  0  0  0  
  make  3        mu  1   pa   -1  parg  1
  DQF          -7.06      0.020       0
 
tts     2    7  xvA 1  xMgM13 3  xTiM2 2  xCaM4 2  xSiT1 1/2  xAlT1 1/2  xOV 2  
  check 0  0  0  0  0  1  0  1  0  0  
  make  3      dsp   -2   ru    2    ts  1
  DQF           95           0         0



% ====================================================================
% Ilmenite: FTO
%
% White, RW, Powell, R, Holland, TJB & Worley, BA (2000) The effect of TiO2 and
% Fe2O3 on metapelitic assemblages at greenschist and amphibolite facies conditions:
% mineral equilibria calculations in the system K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-Fe2O3.
% Journal of Metamorphic Geology, 18, 497-511.
%
% x(ilm) = prop ilm
% Q(ilm) =  x(Fe2,A) - x(Fe2,B)
% NOTE: Q(ilm) must have a range of -x to +x
      
ilm 3   1

 x(ilm) 0.80           
 Q(ilm) 0.55   range -0.99 0.99  

% --------------------------------------------------
 

% psub = {ph -> 1 - x, po -> Q, pd -> x - Q};

  p(oilm)  1 1    0  1  1  Q
  
  p(dilm)  1 1    0  2  1  x -1  Q
  
  p(hem)  1 1    1  1 -1  x 
  
% --------------------------------------------------

 sf
  
  W(oilm,dilm)   15.6  0  0 
  W(oilm,hem)   26.6  0  0
  W(dilm,hem)     11  0  0    
 
% --------------------------------------------------
  6     % site fractions

  x(Fe2,A)  1 1    0  2  1/2  x  1/2  Q
  
  x(Ti,A)   1 1    0  2  1/2  x -1/2  Q
    
  x(Fe3,A)  1 1    1  1 -1  x 
    
  x(Fe2,B)  1 1    0  2  1/2  x -1/2  Q
    
  x(Ti,B)   1 1    0  2  1/2  x  1/2  Q
    
  x(Fe3,B)  1 1    1  1 -1  x   
  
  
% --------------------------------------------------

   oilm      1  2    x(Fe2,A)  1  x(Ti,B)  1    
         make  1  ilm  1
         DQF  disordered  -13.6075 0.009426 0  % DQF - dH + R Log[4]; dH = 15.6
         check 1 1
               
   dilm      4  4    x(Fe2,A)  1/2   x(Ti,A)  1/2   x(Fe2,B)  1/2   x(Ti,B)  1/2    
         make  1  ilm  1
         DQF   disordered  1.9928 -0.0021 0    % DQF = G(equil,Landau) - G(equil,SF) 
         check 1 0
                
   hem       1  2    x(Fe3,A)  1  x(Fe3,B)  1     
         check 0 0
         make 1 hem 1
	 DQF disordered  0  0  0

% ====================================================================  
ky q  ru  mt sph sill san H2O
*

