TheriakDomino Input File THERIN Temperature Pressure 600 9500
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Theriak-Domino Input: File THERIN Temperature Pressure 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) 0: short output 1: long output * Shaw(1955) L 62 (stable assemblage) (composition, considered phases, solution models, stable assemblage, activities of all considered phases. ) *
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. 5 1. 0 0. 0 2. 0 1. 0 2. 0 0. 0 elements atomic weight oxygen used if formula contains O(? )
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. 5 1. 0 0. 0 2. 0 1. 0 2. 0 0. 0 ***. . . MINERAL DATA. . . ***. . . GAS DATA. . . ***. . . SOLUTION DATA. . . ***. . . MARGULES. . . ***. . . COMMENTS. . . ) Blocks (line begins with ***)
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 2 ALBI SPC ABSAL ST -3701276. 00 -3921618. 20 224. 4120 10. 083 1. 00000 C 1 393. 63574 -2415. 498 -7892826. 000 1070636032. 0. 00000 V 1 2. 63072032 0. 00032407 -0. 19446932 0. 00048611 0. 0000 D 1 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 C 1 381. 37231 -1941. 045 -12037252. 000 1836425472. 0. 00000 V 1 1. 51450750 0. 00054850 -0. 18045110 0. 00051120 0. 0000 D 1 282. 98291 -4831. 37500 3620706. 00000 0. 00000 D 2 -0. 15733 0. 00003 298. 15000 1436. 15000 410629. 63000 ANORTHITE AL(2)CA(1)SI(2)O(8) An 2 ANOR ST -4002668. 00 -4228730. 47 200. 1861 10. 075 1. 00000 C 1 439. 36938 -3734. 149 0. 000 -317023232. 0. 00000 V 1 1. 09181141 0. 00041985 -0. 12724268 0. 00031762 0. 0000 ***** SOLUTION DATA ***** FSP (EXT, MARGULES) ALBITE Block: Solution data K-FELDSPAR ANORTHITE
Theriak-Domino Input: Block ****MINERAL DATA**** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) name formula Ab 12 gj abbrev code
Theriak-Domino Input: Block ****MINERAL DATA**** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) name ST Ab 12 gj formula -3701276. 00 -3921618. 20 ∆f. Go abbrev code 224. 4120 ∆f. Ho 10. 083 So 1. 00000 Vo
Theriak-Domino Input: Block ****MINERAL DATA**** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) name ST 12 gj formula -3701276. 00 -3921618. 20 ∆f. Go C 1 Ab 393. 63574 abbrev code 224. 4120 ∆f. Ho -2415. 498 -7892826. 000 k 1 k 4 10. 083 1. 00000 So 1070636032. k 3 Vo 0. 00000 k 8
Theriak-Domino Input: Block ****MINERAL DATA**** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) name ST 12 gj formula -3701276. 00 -3921618. 20 ∆f. Go C 1 Ab 393. 63574 abbrev code 224. 4120 ∆f. Ho -2415. 498 -7892826. 000 k 1 k 4 10. 083 1. 00000 So 1070636032. k 3 Vo 0. 00000 k 8 SPC ABSAL special case COM BRUCITE[1] PERICLASE[-1] Combination of phases
Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT name of solution phase GAS PHASE (IDEAL) CARBON DIOXIDE STEAM OXYGEN CARBON MONOXYDE endmembers
Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT name of solution phase H-FELDSPAR H-ALBITE H-SANIDINE keywords: MARGULES - (IDEAL, MARGULES) endmembers
Theriak-Domino Input: Block ****SOLUTION DATA**** models: IDEAL SITE EXT name of solution phase keywords: MARGULES optional multiplicity GARNETS (IDEAL, MARGULES)3 M(3): Ca, Mg, Fe GROSSULAR Ca, Ca endmembers PYROPE Mg, Mg ALMANDINE Fe, Fe site information optional, if model ≠ SITE
Theriak-Domino Input: Block ****SOLUTION DATA**** name models: IDEAL SITE EXT keywords: MARGULES optional multiplicity OMPH (-SITE, MARGULES)1/2 M 1 a(2): Ca, Mg, Fe, Al - M 1 b(2): Ca, Mg, Fe, Al diopside Ca, Mg - Ca, Mg jadeite Al, Al - Al, Al endmembers with site occupancies hedenbergite Ca, Fe - Ca, Fe omphacite Al, Al - Ca, Mg site information optional, if model ≠ SITE
Theriak-Domino Input: Block ****SOLUTION DATA**** name models: IDEAL SITE EXT keywords: MARGULES 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 anorthite. C 1 Ca 1. 0 0 0 coefficients for the asymmetric van Laar model, according to Holland Powell (2002).
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 0 122 26470. 9 19. 3807 0. 38702 0 WH WS 0 0 WV WCp k
Theriak-Domino Input: Block ****SITEMARG***** SOLUTION DATA ***** BIO (-SITE) M 2(2): Mg, Fe - M 1(1): Mg, Fe, Al - T 2(2): Al, Si PHLOGOPITE Mg, Mg - Al, Si ANNITE Fe, Fe - Al, Si SIDEROPHYLLITE Fe, Fe - Al, Al EASTONITE Mg, Mg - Al, Al ***** SITEMARG ***** * BIO M 2 - Mg, Fe 12769. 0 10. 200 -. 060 M 1 - Mg, Fe 6384. 6 5. 100 -. 030 M 1 - Mg, Al -6520. 0 -18. 977 0. 000 M 1 - Fe, Al 27270. 1 29. 983 0. 000 WH WS WV
Theriak-Domino Input: Block ****MINERAL DATA**** MINERAL DATA **** ALBITE NA(1)AL(1)SI(3)O(8) name Ab formula 12 gj abbrev code 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) 0: short output * Shaw(1955) L 62 (stable assemblage) * use 1: long output (composition, considered phases, solution models, stable assemblage, activities of all considered phases. )
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE Considered phases
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A Considered phases 1, 4
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B Considered phases 1, 4 2
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C Considered phases 1, 4 2 2, 3, 4
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C AB Considered phases 1, 4 2 2, 3, 4 1, 2, 4
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C AB AC Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C AB AC BC Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C AB AC BC ABC Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C AB AC BC ABC * Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4, 5
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC *QFM *CB USE A B C AB AC BC ABC * *, QFM Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4, 5 1, 2, 3, 4, 5, 6
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC USE A B C AB AC *QFM BC *CB ABC * *, QFM AB, QFM, CB Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4, 5 1, 2, 3, 4, 5, 6 1, 2, 4, 6, 7
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC USE A B C AB AC *QFM BC *CB ABC * *, QFM AB, QFM, CB ABC , CB Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4, 5 1, 2, 3, 4, 5, 6 1, 2, 4, 6, 7 1, 2, 3, 4, 5, 7
Theriak-Domino Input: USE and CODE In database Phase 1 Phase 2 Phase 3 Phase 4 Phase 5 Phase 6 Phase 7 In THERIN input CODE A BC C AC USE A B C AB AC *QFM BC *CB ABC * *, QFM AB, QFM, CB ABC , CB A, CB Considered phases 1, 4 2 2, 3, 4 1, 2, 3, 4, 5 1, 2, 3, 4, 5, 6 1, 2, 4, 6, 7 1, 2, 3, 4, 5, 7 1, 4, 7
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