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600 9500

Theriak-Domino Input: File THERIN. Temperature. Pressure. 0: short output (stable assemblage). *. 1: long output (composition, considered phases, solution models, stable assemblage, activities of all considered phases.). 600 9500

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600 9500

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  1. Theriak-Domino Input: File THERIN Temperature Pressure 0: short output (stable assemblage) * 1: long output (composition, considered phases, solution models, stable assemblage, activities of all considered phases.) 600 9500 0 SI(58.96)AL(26.46)FE(5.17)MG(2.81)CA(0.19)NA(1.81)K(3.70)O(170.255)H(60)O(28.28) * Shaw(1955) L62

  2. Theriak-Domino Input: The database no. of elements prologue 25 O AL BA C CA CL CO CU F FE H K MN MG NA NI P S SI SR TI ZN ZR B E 15.99940 26.98154 137.32700 12.01100 40.07800 35.45270 58.93320 63.54600 18.99840 55.84700 1.00794 39.09830 54.93085 24.30500 22.98977 58.69000 30.97362 32.06600 28.08550 87.62000 47.88000 65.39000 91.22400 10.81000 1.00000 0.0 1.5 1.0 2.0 1.0 0.0 1.0 1.0 0.0 1.0 0.5 0.5 1.0 1.0 0.5 1.0 1.0 0.0 2.0 1.0 2.0 1.0 2.0 0.0 0.0 elements atomic weight oxygen used if formula contains O(?)

  3. Theriak-Domino Input: The database prologue 25 O AL BA C CA CL CO CU F FE H K MN MG NA NI P S SI SR TI ZN ZR B E 15.99940 26.98154 137.32700 12.01100 40.07800 35.45270 58.93320 63.54600 18.99840 55.84700 1.00794 39.09830 54.93085 24.30500 22.98977 58.69000 30.97362 32.06600 28.08550 87.62000 47.88000 65.39000 91.22400 10.81000 1.00000 0.0 1.5 1.0 2.0 1.0 0.0 1.0 1.0 0.0 1.0 0.5 0.5 1.0 1.0 0.5 1.0 1.0 0.0 2.0 1.0 2.0 1.0 2.0 0.0 0.0 *** ... MINERAL DATA ... *** ... GAS DATA ... *** ... SOLUTION DATA ... Blocks (line begins with ***) *** ... MARGULES ... *** ... COMMENTS ...)

  4. Theriak-Domino Input: The database Block: Mineral data ****MINERAL DATA***** from RG Berman (J.Petrology, v.29, 1988) feldspar ALBITE NA(1)AL(1)SI(3)O(8) Ab 2ALBI SPC ABSAL ST -3701276.00 -3921618.20 224.4120 10.083 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000 V1 2.63072032 0.00032407 -0.19446932 0.00048611 0.00000000 D1 0.00000 0.00000 0.00000 0.00000 0.00000 K-FELDSPAR K(1)AL(1)SI(3)O(8) Kfs KSPR ST -3747058.00 -3970790.78 214.1451 10.869 1.00000 C1 381.37231 -1941.045 -12037252.000 1836425472. 0.00000 V1 1.51450750 0.00054850 -0.18045110 0.00051120 0.00000000 D1 282.98291 -4831.37500 3620706.00000 0.00000 0.00000 D2 -0.15733 0.00003 298.15000 1436.15000 410629.63000 ANORTHITE AL(2)CA(1)SI(2)O(8) An 2ANOR ST -4002668.00 -4228730.47 200.1861 10.075 1.00000 C1 439.36938 -3734.149 0.000 -317023232. 0.00000 V1 1.09181141 0.00041985 -0.12724268 0.00031762 0.00000000 ***** SOLUTION DATA ***** FSP (EXT,MARGULES) ALBITE K-FELDSPAR ANORTHITE Block: Solution data

  5. Theriak-Domino Input: Block ****MINERAL DATA**** name formula abbrev code **** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) Ab 12gj

  6. Theriak-Domino Input: Block ****MINERAL DATA**** name formula abbrev code ∆fGo ∆fHo So Vo **** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) Ab 12gj ST -3701276.00 -3921618.20 224.4120 10.083 1.00000

  7. Theriak-Domino Input: Block ****MINERAL DATA**** name formula abbrev code ∆fGo ∆fHo So Vo k1 k4 k3 k8 **** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) Ab 12gj ST -3701276.00 -3921618.20 224.4120 10.083 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000

  8. Theriak-Domino Input: Block ****MINERAL DATA**** name formula abbrev code ∆fGo ∆fHo So Vo k1 k4 k3 k8 special case SPC ABSAL Combination of phases COM BRUCITE[1] PERICLASE[-1] **** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) Ab 12gj ST -3701276.00 -3921618.20 224.4120 10.083 1.00000 C1 393.63574 -2415.498 -7892826.000 1070636032. 0.00000

  9. Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT name of solution phase GAS PHASE (IDEAL) CARBON DIOXIDE STEAM OXYGEN CARBON MONOXYDE endmembers

  10. Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT keywords: MARGULES - name of solution phase H-FELDSPAR (IDEAL,MARGULES) H-ALBITE H-SANIDINE endmembers

  11. Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT keywords: MARGULES - name of solution phase optional multiplicity GARNETS (IDEAL,MARGULES)3 M(3):Ca,Mg,Fe GROSSULAR Ca,Ca,Ca PYROPE Mg,Mg,Mg ALMANDINE Fe,Fe,Fe endmembers site information optional, if model ≠ SITE

  12. Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT keywords: MARGULES - name optional multiplicity OMPH (-SITE,MARGULES)1/2 M1a(2):Ca,Mg,Fe,Al - M1b(2):Ca,Mg,Fe,Al diopside Ca,Mg - Ca,Mg jadeite Al,Al - Al,Al hedenbergite Ca,Fe - Ca,Fe omphacite Al,Al - Ca,Mg endmembers with site occupancies site information optional, if model ≠ SITE

  13. Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT keywords: MARGULES - name site information optional, if model ≠ SITE FSP (IDEAL,MARGULES) M(1):Na,K,Ca sanidine K 1.0 0 0 high-albite Na 0.643 0 0 anorthiteC1 Ca 1.0 0 0 coefficients for the asymmetric van Laar model, according to Holland and Powell (2002).

  14. Theriak-Domino Input: Block ***MARGULES PARAMETERS*** (XH-ALBITE)2.XH-SANIDINE XH-ALBITE. (XH-SANIDINE)2 ***** MARGULES PARAMETERS ***** H-ALBITE - H-SANIDINE 112 32098.8 16.1356 0.46903 0 0 122 26470.9 19.3807 0.38702 0 0 WH WS WV WCp k

  15. Theriak-Domino Input: Block ****SITEMARG**** ***** SOLUTION DATA ***** BIO (-SITE) M2(2):Mg,Fe - M1(1):Mg,Fe,Al - T2(2):Al,Si PHLOGOPITE Mg,Mg - Mg - Al,Si ANNITE Fe,Fe - Fe - Al,Si SIDEROPHYLLITE Fe,Fe - Al - Al,Al EASTONITE Mg,Mg - Al - Al,Al ***** SITEMARG ***** * BIO M2 - Mg,Fe 12769.0 10.200 -.060 M1 - Mg,Fe 6384.6 5.100 -.030 M1 - Mg,Al -6520.0 -18.977 0.000 M1 - Fe,Al 27270.1 29.983 0.000 WH WS WV

  16. Theriak-Domino Input: Block ****MINERAL DATA**** name formula abbrev code 0: short output (stable assemblage) * 1: long output (composition, considered phases, solution models, stable assemblage, activities of all considered phases.) **** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) Ab 12gj Theriak-Domino Input: File THERIN 600 9500 0 SI(58.96)AL(26.46)FE(5.17)MG(2.81)CA(0.19)NA(1.81)K(3.70)O(170.255)H(60)O(28.28) * Shaw(1955) L62 use

  17. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A Phase2 BC Phase3 C Phase4 AC Phase5 Phase6 *QFM Phase7 *CB

  18. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 AA 1,4Phase2 BC Phase3 C Phase4 AC Phase5 Phase6 *QFM Phase7 *CB

  19. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2BC B 2Phase3 C Phase4 AC Phase5 Phase6 *QFM Phase7 *CB

  20. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2 BC B 2Phase3CC 2,3,4Phase4 ACPhase5 Phase6 *QFM Phase7 *CB

  21. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2BC B 2Phase3 C C 2,3,4Phase4AC AB 1,2,4Phase5 Phase6 *QFM Phase7 *CB

  22. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2 BC B 2Phase3 C C 2,3,4Phase4 AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM Phase7 *CB

  23. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2BC B 2Phase3 C C 2,3,4Phase4 AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB

  24. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2 BC B 2Phase3 C C 2,3,4Phase4 AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB ABC 1,2,3,4

  25. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1A A 1,4Phase2BC B 2Phase3C C 2,3,4Phase4AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB ABC 1,2,3,4* 1,2,3,4,5

  26. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2BC B 2Phase3 C C 2,3,4Phase4 AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB ABC 1,2,3,4 * 1,2,3,4,5*,QFM 1,2,3,4,5,6

  27. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2BC B 2Phase3 C C 2,3,4Phase4AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB ABC 1,2,3,4 * 1,2,3,4,5 *,QFM 1,2,3,4,5,6AB,QFM,CB 1,2,4,6,7

  28. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2 BC B 2Phase3 C C 2,3,4Phase4 AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB ABC 1,2,3,4 * 1,2,3,4,5 *,QFM 1,2,3,4,5,6 AB,QFM,CB 1,2,4,6,7ABC ,CB 1,2,3,4,5,7

  29. Theriak-Domino Input: USE and CODE In database In THERIN input CODE USE Considered phasesPhase1 A A 1,4Phase2 BC B 2Phase3 C C 2,3,4Phase4AC AB 1,2,4Phase5 AC 1,2,3,4Phase6 *QFM BC 2,3,4Phase7 *CB ABC 1,2,3,4 * 1,2,3,4,5 *,QFM 1,2,3,4,5,6 AB,QFM,CB 1,2,4,6,7 ABC ,CB 1,2,3,4,5,7A,CB 1,4,7

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