| for domcumentation of Perple_X thermodynamic data file structure and content refer to: | www.perplex.ethz.ch/perplex_thermodynamic_data_file.html | comments are indicated by the | character. | check for warnings at the end of the header section. | make definition formats used in this file can only be read by Perple_X 6.7.3+ Holland & Powell, JMG 2011 (TC-DS622) => data base name |<= data base title begin_standard_variables |<= name (<9 characters), reference value, tolerance P(bar) 1.00 0.1E-3 T(K) 298.15 0.1E-4 Y(CO2) 0.00 0.1E-6 mu(C1) 0.00 0.1E-2 mu(C2) 0.00 0.1E-2 end_standard_variables tolerance -.1E-2 |<= DTOL for unconstrained minimization, energy units HSC_conversion |<= tag enabling HSC to SUP apparent energy conversion, requires elemental entropies in the component list below begin_components | < 6 chars, molar weight (g), elemental entropy (R) Na2O 61.9790 205.175 MgO 40.3040 135.255 Al2O3 101.9610 364.425 SiO2 60.0840 223.96 K2O 94.1960 231.935 CaO 56.0770 144.205 TiO2 79.8660 235.87 MnO 70.9370 134.795 FeO 71.8440 129.855 NiO 74.6930 132.375 ZrO2 123.2200 244.33 Cl2 70.9060 223.08 O2 31.9990 205.15 H2O 18.0150 233.255 CO2 44.0100 210.89 CuO 79.5450 135.725 Cr2O3 151.9900 358.811 S2 32.0650 64.14 F2 37.9968 202.79 end_components begin_makes | Make definitions for Jennings and Holland, J Pet, 56:869-892, 2015 Cpx cfs = 1 fs DQF(J/mol) = 3.8d3 -3 0.03 crdi = 1 cats + 1 kos - 1 jd DQF(J/mol) = -3d3 cess = 1 cats + 1 acm - 1 jd DQF(J/mol) = -6d3 cenjh = 1 en DQF(J/mol) = 3.5d3 - 2 * T_K + 0.048 * p_bar | Make definitions for Jennings and Holland, J Pet, 56:869-892, 2015 Opx cren = 1 mgts + 1 kos - 1 jd DQF(J/mol) = 3d3 oen = 1 mgts + 1 acm - 1 jd DQF(J/mol) = -15d3 + 0.15 * p_bar odi = 1 di DQF(J/mol) = -0.1d3 2.11 0.005 | Make definitions for Green et al., JMG, 2016 augite (clinopyroxene) cfsg = 1 fs DQF = 2100 - 2 * T + 0.045 * P | Make definitions for Holland et al., 2013; dx.doi.org/10.1093/petrology/egt035 | mantle mineralogical model. nacfb = 1 nacf DQF(J/mol) = -9000 mfpv = 1 fpv DQF(J/mol) = -9500 mcpv = 1 cpv DQF(J/mol) = 60000 mnpv = 1 npv DQF(J/mol) = 16000 cmpv = 1 mpv DQF(J/mol) = 35000 cfpv = 1 fpv DQF(J/mol) = 24000 capv = 1 apv DQF(J/mol) = 45000 cnpv = 1 npv DQF(J/mol) = 25000 fcor = 1 mcor + 1 fak - 1 mak | FeSi corundum DQF(J/mol) = -15d3 hmgts = 1 mgts + 1 hen - 1 en DQF(J/mol) = -1d3 end_makes Notation (incomplete and NOT alphabetical!) Entity Symbol Formula forsterite fo Mg2SiO4 fayalite fa Fe2SiO4 magnesium wadsleyite mwd Mg2SiO4 iron wadsleyite fwd Fe2SiO4 magnesium ringwoodite mrw Mg2SiO4 iron ringwoodite frw Fe2SiO4 magnesium perovskite mpv MgSiO3 iron perovskite fpv FeSiO3 aluminium perovskite apv Al2O3 sodium perovskite npv Na0.5Al0.5SiO3 calcium perovskite cpv CaSiO3 magnesium akimotoite mak MgSiO3 iron akimotoite fak FeSiO3 majorite maj Mg4Si4O12 sodium majorite nagt Mg2NaAlSi4O12 pyrope py Mg3Al2Si3O12 almandine alm Fe3Al2Si3O12 grossular gr Ca3Al2Si3O12 enstatite en Mg2Si2O6 clinoenstatite cen Mg2Si2O6 high clinoenstatite hen Mg2Si2O6 high ferrosilite hfs Fe2Si2O6 ferrosilite fs Fe2Si2O6 magnesium tschermaks mgts MgAl2SiO6 diopside di CaMgSi2O6 hedenbergite hed CaFeSi2O6 jadeite jd NaAlSi2O6 calcium tschermaks cats CaAl2SiO6 stishovite stv SiO2 Mg-Al CF phase macf MgAl2O4 Mg-Si CF phase mscf Mg2SiO4 Fe-Si CF phase fscf Fe2SiO4 Na CF phase nacf NaAlSiO4 Ca CF phase cacf CaAl2O4 Mg NAL phase manal Mg3Al6O12 Na NAL phase nanal NaMg2SiAl5O12 MgSi NAL phase msnal Mg6Si3O12 FeSi NAL phase fsnal Fe6Si3O12 Ca NAL phase canal CaMg2Al6O12 periclase per MgO ferropericlase fper FeO corundum cor Al2O3 MgSi corundum mcor MgSiO3 coesite coe SiO2 end fo EoS = 8 | H= -2172450. MgO(2)SiO2(1) GH = -2200804 S0 = 95.1 V0 = 4.366 c1 = 233.3 c2 = 0.001494 c3 = -603800.0 c5 = -1869.7 b1 = 2.85e-05 b5 = 531.1171 b6 = 1285000 b7 = -3e-06 b8 = 3.84 end fa EoS = 8 | H= -1477740. FeO(2)SiO2(1) GH = -1522761 S0 = 151.0 V0 = 4.631 c1 = 201.1 c2 = 0.01733 c3 = -1960600.0 c5 = -900.9 b1 = 2.82e-05 b5 = 379.7022 b6 = 1256000 b7 = -3.7e-06 b8 = 4.68 end mwd EoS = 8 | H= -2138080. MgO(2)SiO2(1) GH = -2166076 S0 = 93.9 V0 = 4.051 c1 = 208.7 c2 = 0.003942 c3 = -1709500.0 c5 = -1302.8 b1 = 2.37e-05 b5 = 535.7030 b6 = 1726000 b7 = -2.2e-06 b8 = 3.84 end fwd EoS = 8 | H= -1467920. FeO(2)SiO2(1) GH = -1511450 S0 = 146.0 V0 = 4.321 c1 = 201.1 c2 = 0.01733 c3 = -1960600.0 c5 = -900.9 b1 = 2.73e-05 b5 = 389.6378 b6 = 1690000 b7 = -2.6e-06 b8 = 4.35 end mrw EoS = 8 | H= -2126840. MgO(2)SiO2(1) GH = -2153674 S0 = 90.0 V0 = 3.949 c1 = 213.3 c2 = 0.00269 c3 = -1410400.0 c5 = -1495.9 b1 = 2.01e-05 b5 = 551.1697 b6 = 1781000 b7 = -2.4e-06 b8 = 4.35 end frw EoS = 8 | H= -1471760. FeO(2)SiO2(1) GH = -1513501 S0 = 140.0 V0 = 4.203 c1 = 166.8 c2 = 0.04261 c3 = -1705400.0 c5 = -541.4 b1 = 2.22e-05 b5 = 402.2693 b6 = 1977000 b7 = -2.5e-06 b8 = 4.92 end mpv EoS = 8 | H= -1442310. MgO(1)SiO2(1) GH = -1460974 S0 = 62.6 V0 = 2.445 c1 = 149.3 c2 = 0.002918 c3 = -2983000.0 c5 = -799.1 b1 = 1.87e-05 b5 = 560.9705 b6 = 2510000 b7 = -1.6e-06 b8 = 4.14 end fpv EoS = 8 | H= -1082910. FeO(1)SiO2(1) GH = -1111234 S0 = 95.0 V0 = 2.534 c1 = 133.2 c2 = 0.01083 c3 = -3661400.0 c5 = -314.7 b1 = 1.87e-05 b5 = 418.0818 b6 = 2810000 b7 = -1.6e-06 b8 = 4.14 end apv EoS = 8 | H= -1619990. Al2O3(1) GH = -1635434 S0 = 51.8 V0 = 2.54 c1 = 139.5 c2 = 0.00589 c3 = -2460600.0 c5 = -589.2 b1 = 1.8e-05 b5 = 633.0952 b6 = 2030000 b7 = -2e-06 b8 = 4.0 end npv EoS = 8 | H= -1365000. Na2O(0.25)Al2O3(0.25)SiO2(1) GH = -1383783 S0 = 63.0 V0 = 2.334 c1 = 135.0 c2 = 0.00846 c3 = -1850300.0 c5 = -600.8 b1 = 1.8e-05 b5 = 558.6134 b6 = 2030000 b7 = -2e-06 b8 = 4.0 end cpv EoS = 8 | H= -1533590. CaO(1)SiO2(1) GH = -1555802 S0 = 74.5 V0 = 2.745 c1 = 159.3 c2 = 0.0 c3 = -967300.0 c5 = -1075.4 b1 = 2e-05 b5 = 498.4067 b6 = 2360000 b7 = -1.6e-06 b8 = 3.9 end mak EoS = 8 | H= -1489610. MgO(1)SiO2(1) GH = -1507290 S0 = 59.3 V0 = 2.635 c1 = 147.8 c2 = 0.002015 c3 = -2395000.0 c5 = -801.8 b1 = 2.12e-05 b5 = 581.2022 b6 = 2110000 b7 = -2.2e-06 b8 = 4.55 end fak EoS = 8 | H= -1142130. FeO(1)SiO2(1) GH = -1169411 S0 = 91.5 V0 = 2.76 c1 = 100.3 c2 = 0.013328 c3 = -4364900.0 c5 = 419.8 b1 = 2.12e-05 b5 = 429.9111 b6 = 2180000 b7 = -2.2e-06 b8 = 4.55 end maj EoS = 8 | H= -6041550. MgO(4)SiO2(4) GH = -6119129 S0 = 260.2 V0 = 11.457 c1 = 713.6 c2 = -0.000997 c3 = -1158200.0 c5 = -6622.3 b1 = 1.83e-05 b5 = 546.8380 b6 = 1600000 b7 = -2.8e-06 b8 = 4.56 end nagt EoS = 8 | H= -5985000. MgO(2)Na2O(0.5)Al2O3(0.5)SiO2(4) GH = -6062698 S0 = 260.6 V0 = 11.09 c1 = 620.8 c2 = 0.0112 c3 = -3755900.0 c5 = -4421.3 b1 = 2.1e-05 b5 = 546.2763 b6 = 1700000 b7 = -2.3e-06 b8 = 4.0 end py EoS = 8 | H= -6281770. MgO(3)Al2O3(1)SiO2(3) GH = -6362121 S0 = 269.5 V0 = 11.313 c1 = 633.5 c2 = 0.0 c3 = -5196100.0 c5 = -4315.2 b1 = 2.37e-05 b5 = 534.0698 b6 = 1743000 b7 = -2.3e-06 b8 = 4.05 end alm EoS = 8 | H= -5260750. FeO(3)Al2O3(1)SiO2(3) GH = -5362717 S0 = 342.0 V0 = 11.525 c1 = 677.3 c2 = 0.0 c3 = -3772700.0 c5 = -5044.0 b1 = 2.12e-05 b5 = 451.8267 b6 = 1900000 b7 = -1.6e-06 b8 = 2.98 end gr EoS = 8 | H= -6643050. CaO(3)Al2O3(1)SiO2(3) GH = -6719078 S0 = 255.0 V0 = 12.535 c1 = 626.0 c2 = 0.0 c3 = -5779200.0 c5 = -4002.9 b1 = 2.2e-05 b5 = 554.2470 b6 = 1720000 b7 = -3.2e-06 b8 = 5.53 end en EoS = 8 | H= -3090100. MgO(2)SiO2(2) GH = -3129605 S0 = 132.5 V0 = 6.262 c1 = 356.2 c2 = -0.00299 c3 = -596900.0 c5 = -3185.3 b1 = 2.27e-05 b5 = 540.1727 b6 = 1059000 b7 = -8.2e-06 b8 = 8.65 end cen EoS = 8 | H= -3090990. MgO(2)SiO2(2) GH = -3130346 S0 = 132.0 V0 = 6.264 c1 = 306.0 c2 = -0.003793 c3 = -3041700.0 c5 = -1852.1 b1 = 2.11e-05 b5 = 541.5479 b6 = 1059000 b7 = -8.2e-06 b8 = 8.65 end hen EoS = 8 | H= -3082610. MgO(2)SiO2(2) GH = -3121876 S0 = 131.7 V0 = 6.099 c1 = 356.2 c2 = -0.00299 c3 = -596900.0 c5 = -3185.3 b1 = 2.26e-05 b5 = 542.3763 b6 = 1500000 b7 = -3.6e-06 b8 = 5.5 end hfs EoS = 8 | H= -2380810. FeO(2)SiO2(2) GH = -2437160 S0 = 189.0 V0 = 6.405 c1 = 398.7 c2 = -0.006579 c3 = 1290100.0 c5 = -4058.0 b1 = 2.37e-05 b5 = 419.7316 b6 = 1500000 b7 = -3.6e-06 b8 = 5.5 end fs EoS = 8 | H= -2388760. FeO(2)SiO2(2) GH = -2445379 S0 = 189.9 V0 = 6.592 c1 = 398.7 c2 = -0.006579 c3 = 1290100.0 c5 = -4058.0 b1 = 3.26e-05 b5 = 418.2462 b6 = 1010000 b7 = -4e-06 b8 = 4.08 end mgts EoS = 8 | H= -3196600. MgO(1)Al2O3(1)SiO2(1) GH = -3235658 S0 = 131.0 V0 = 6.05 c1 = 371.4 c2 = -0.004082 c3 = -398400.0 c5 = -3547.1 b1 = 2.17e-05 b5 = 544.3193 b6 = 1028000 b7 = -8.3e-06 b8 = 8.55 end di EoS = 8 | H= -3201820. CaO(1)MgO(1)SiO2(2) GH = -3244426 S0 = 142.9 V0 = 6.619 c1 = 314.5 c2 = 4.1e-05 c3 = -2745900.0 c5 = -2020.1 b1 = 2.73e-05 b5 = 513.0728 b6 = 1192000 b7 = -4.4e-06 b8 = 5.19 end hed EoS = 8 | H= -2842120. CaO(1)FeO(1)SiO2(2) GH = -2894296 S0 = 175.0 V0 = 6.795 c1 = 340.2 c2 = 0.000812 c3 = -1047800.0 c5 = -2646.7 b1 = 2.38e-05 b5 = 444.2774 b6 = 1192000 b7 = -3.3e-06 b8 = 3.97 end jd EoS = 8 | H= -3025290. Na2O(0.5)Al2O3(0.5)SiO2(2) GH = -3065093 S0 = 133.5 V0 = 6.04 c1 = 319.4 c2 = 0.003616 c3 = -1173900.0 c5 = -2469.5 b1 = 2.1e-05 b5 = 537.4432 b6 = 1281000 b7 = -3e-06 b8 = 3.81 end cats EoS = 8 | H= -3310110. CaO(1)Al2O3(1)SiO2(1) GH = -3350360 S0 = 135.0 V0 = 6.356 c1 = 347.6 c2 = -0.006974 c3 = -1781600.0 c5 = -2757.5 b1 = 2.08e-05 b5 = 533.4002 b6 = 1192000 b7 = -4.4e-06 b8 = 5.19 end stv EoS = 8 | H= -876820. SiO2(1) GH = -883976 S0 = 24.0 V0 = 1.401 c1 = 68.1 c2 = 0.00601 c3 = -1978200.0 c5 = -82.1 b1 = 1.58e-05 b5 = 736.5651 b6 = 3090000 b7 = -1.5e-06 b8 = 4.6 end macf EoS = 8 | H= -2246420. MgO(1)Al2O3(1) GH = -2270272 S0 = 80.0 V0 = 3.614 c1 = 200.0 c2 = 0.006252 c3 = -2996400.0 c5 = -888.4 b1 = 1.93e-05 b5 = 595.2350 b6 = 2120000 b7 = -1.7e-06 b8 = 4.0 end mscf EoS = 8 | H= -2061130. MgO(2)SiO2(1) GH = -2087218 S0 = 87.5 V0 = 3.649 c1 = 213.3 c2 = 0.00269 c3 = -1410400.0 c5 = -1495.9 b1 = 2.01e-05 b5 = 561.5628 b6 = 1850000 b7 = -1.7e-06 b8 = 4.0 end fscf EoS = 8 | H= -1405500. FeO(2)SiO2(1) GH = -1448255 S0 = 143.4 V0 = 3.914 c1 = 181.1 c2 = 0.018526 c3 = -2767200.0 c5 = -527.1 b1 = 2.01e-05 b5 = 395.0127 b6 = 1850000 b7 = -1.7e-06 b8 = 4.0 end nacf EoS = 8 | H= -1965550. Na2O(0.5)Al2O3(0.5)SiO2(1) GH = -1998346 S0 = 110.0 V0 = 3.631 c1 = 272.7 c2 = -0.012398 c3 = 0.0 c5 = -2763.1 b1 = 2.1e-05 b5 = 480.0877 b6 = 1850000 b7 = -2.5e-06 b8 = 4.6 end cacf EoS = 8 | H= -2325600. CaO(1)Al2O3(1) GH = -2351718 S0 = 87.6 V0 = 3.976 c1 = 191.9 c2 = 0.009563 c3 = -3211300.0 c5 = -640.2 b1 = 1.93e-05 b5 = 561.1396 b6 = 1900000 b7 = -2.1e-06 b8 = 4.0 end manal EoS = 8 | H= -6796630. MgO(3)Al2O3(3) GH = -6871168 S0 = 250.0 V0 = 11.166 c1 = 600.0 c2 = 0.018756 c3 = -8989200.0 c5 = -2665.2 b1 = 1.93e-05 b5 = 579.7840 b6 = 1840000 b7 = -2.2e-06 b8 = 4.0 end nanal EoS = 8 | H= -6610270. Na2O(0.5)MgO(2)SiO2(1)Al2O3(2.5) GH = -6693752 S0 = 280.0 V0 = 11.322 c1 = 672.7 c2 = 0.000106 c3 = -5992800.0 c5 = -4539.9 b1 = 2.01e-05 b5 = 537.8962 b6 = 1840000 b7 = -2.2e-06 b8 = 4.0 end msnal EoS = 8 | H= -6172380. MgO(6)SiO2(3) GH = -6253626 S0 = 272.5 V0 = 11.061 c1 = 639.9 c2 = 0.00807 c3 = -4231200.0 c5 = -4487.7 b1 = 2.1e-05 b5 = 547.7903 b6 = 1850000 b7 = -2.2e-06 b8 = 4.0 end fsnal EoS = 8 | H= -4146000. FeO(6)SiO2(3) GH = -4277246 S0 = 440.2 V0 = 11.856 c1 = 543.3 c2 = 0.055578 c3 = -8301600.0 c5 = -1581.3 b1 = 2.1e-05 b5 = 388.1482 b6 = 1850000 b7 = -2.2e-06 b8 = 4.0 end canal EoS = 8 | H= -6840000. CaO(1)MgO(2)Al2O3(3) GH = -6916803 S0 = 257.6 V0 = 11.159 c1 = 591.9 c2 = 0.022067 c3 = -9204100.0 c5 = -2417.0 b1 = 1.93e-05 b5 = 568.5674 b6 = 1770000 b7 = -2.2e-06 b8 = 4.0 end per EoS = 8 | H= -601570. MgO(1) GH = -609471 S0 = 26.5 V0 = 1.125 c1 = 60.5 c2 = 0.000362 c3 = -535800.0 c5 = -299.2 b1 = 3.11e-05 b5 = 540.1727 b6 = 1616000 b7 = -2.4e-06 b8 = 3.95 end fper EoS = 8 | H= -262240. FeO(1) GH = -279712 S0 = 58.6 V0 = 1.206 c1 = 44.4 c2 = 0.00828 c3 = -1214200.0 c5 = 185.2 b1 = 3.22e-05 b5 = 297.5937 b6 = 1520000 b7 = -3.2e-06 b8 = 4.9 end cor EoS = 8 | H= -1675250. Al2O3(1) GH = -1690426 S0 = 50.9 V0 = 2.558 c1 = 139.5 c2 = 0.00589 c3 = -2460600.0 c5 = -589.2 b1 = 1.8e-05 b5 = 639.9519 b6 = 2540000 b7 = -1.7e-06 b8 = 4.34 end mcor EoS = 8 | H= -1468000. MgO(1)SiO2(1) GH = -1485680 S0 = 59.3 V0 = 2.635 c1 = 147.8 c2 = 0.002015 c3 = -2395000.0 c5 = -801.8 b1 = 2.12e-05 b5 = 581.2022 b6 = 2110000 b7 = -2.2e-06 b8 = 4.55 end coe EoS = 8 | H= -907000.0 SiO2(1) GH = -918806.7 S0 = 39.6 V0 = 2.064 c1 = 107.8 c2 = -.3279E-2 c3 = -190300 c5 = -1041.6 b1 = .123E-4 b5 = 541.5479 b6 = 979000 b7 = -.43E-5 b8 = 4.19 end