| comments are preceded by the "|" character bl_Chi_MC_fit_option.dat | name of the MC_fit option file. begin_assemblage sample_name bl_Chi | sample, expt, etc name. pressure_range 1000 20000 | bar, pressure range of initial guesses temperature_range 600 1200 | K, temperature range of initial guesses redox_component O2 | optional keyword to optimize for an unmeasured component | the following specification is only read if the | unmeasured_redox_component tag is present. begin_limits | stoichiometric factors after the component name are FeO 0. 0.25 | express min/max limits on the unmeasured component | in terms of the specified component, e.g. , here | molar O2 >= 0 | molar O2 <= 1/4 molar FeO | this range is wildly excessive given that ferric/ferrous | ratios rarely exceed 0.5, i.e., setting the upper limit | to 0.125 would probably yield more accurate results. end_limits | Phase names used here must correspond to the solution models specified in | the problem definition file or to endmember names in the thermodynamic data | file specified in that file. phase_name Augite(G) | Component names used here must match those specified in the problem | definition file. If the phase is an endmember its composition is not | read. | Na2O MgO Al2O3 K2O CaO TiO2 FeO O2 H2O SiO2 | Augite(G) 0.05290 0.54913 0.02867 0.00000 0.85328 0.00000 0.45979 0.02478 0.00000 1.97467 begin_comp SiO2 1.97467 0.0025 Al2O3 0.02867 0.17 FeO 0.45979 0.01 MgO 0.54913 0.01 Na2O 0.05290 0.04 CaO 0.85328 0.005 end_comp phase_name Gt(W) | Na2O MgO Al2O3 K2O CaO TiO2 FeO O2 H2O SiO2 | Gt(W) 0.00000 0.37043 0.88794 0.00000 1.11886 0.00000 1.73484 0.05603 0.00000 3.00000 begin_comp SiO2 3.00000 0.0025 Al2O3 0.88794 0.01 FeO 1.73484 0.005 MgO 0.37043 0.02 CaO 1.11886 0.01 end_comp end_assemblage Text after the end_assemblage tag is not read by MC_fit. Output from MEEMUM/bl478.dat: ---------------------------------------- Stable phases at: T(K) = 1000.00 P(bar) = 10000.0 Phase Compositions (molar proportions): wt % vol % mol % mol Na2O MgO Al2O3 K2O CaO TiO2 FeO O2 H2O SiO2 cAmph(G) 53.06 50.72 13.57 3.67 0.39834 2.02268 1.52898 0.02218 1.69477 0.13894 2.01048 0.10810 0.93053 5.92000 Augite(G) 0.79 0.71 0.78 0.212 0.05290 0.54913 0.02867 0.00000 0.85328 0.00000 0.45979 0.02478 0.00000 1.97467 Gt(W) 11.81 9.26 5.67 1.53 0.00000 0.37043 0.88794 0.00000 1.11886 0.00000 1.73484 0.05603 0.00000 3.00000 Fsp(C1) 14.69 17.03 12.48 3.38 0.31636 0.00000 0.67654 0.00710 0.35308 0.00000 0.00000 0.00000 0.00000 2.64692 sph 2.66 2.33 3.09 0.836 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 0.00000 0.00000 0.00000 1.00000 q 17.00 19.95 64.42 17.4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 Phase speciation (molar proportions): cAmph(G) mrbG: 0.21619, gl: -0.13861, ts: 0.28465, parg: 0.64152, kprg: 0.04436, tts: 0.06947, cumm: 0.01216 grun: 0.44349, tr: -0.19261, a: -0.37678, b: -0.00385 Augite(G) acm: 0.09911, jd: 0.00668, cats: 0.00104, cenjh: 0.00769, cfsg: 0.32744, di: 0.82795, ocats: 0.02429 fmc: -0.29421 Gt(W) alm: 0.50357, py: 0.01141, gr: 0.37295, kho1: 0.11206 Fsp(C1) an: 0.35308, san: 0.01421, abh: 0.63271 Structural formulae for 688 format solution models: Phase Site Multiplicity Molar Site Fractions cAmph(G) A 1.00 Na(.6415)K(.0444)Vac(.3141) M1 3.00 Fe(.4396)Mg(.5604) M2 2.00 Fe(.0667)Fe3(.2162)Al(.4890)Ti(.0695)Mg(.1586) M4 2.00 Mg(.0122)Na(.0776)Fe(.0629)Ca(.8474) T1 4.00 Al(.5200)Si(.4800) OH 2.00 O(.0695)OH(.9305) Non-mixing stoichiometry: [Si4O22] Augite(G) M1 1.00 Fe(.3274)Mg(.5414)Fe3(.0991)Al(.0320) M2 1.00 Na(.1058)Mg(.0077)Fe(.0332)Ca(.8533) T1 1.00 Al(.0005)Si(.9995) T2 1.00 Al(.0248)Si(.9752) Non-mixing stoichiometry: [O6] Molar Properties and Density: N(g) G(J) S(J/K) V(J/bar) Cp(J/K) Alpha(1/K) Beta(1/bar) Cp/Cv Density(kg/m3) cAmph(G) 890.69 -11803383 1776.0 27.712 1035.0 0.34930E-04 0.12444E-05 1.0270 3214.1 Augite(G) 228.66 -2995680 428.88 6.7372 250.84 0.36749E-04 0.92281E-06 1.0409 3393.9 Gt(W) 474.89 -5796655 861.98 12.112 504.47 0.29511E-04 0.59407E-06 1.0365 3920.9 Fsp(C1) 268.09 -3994455 547.08 10.115 314.36 0.24917E-04 0.16104E-05 1.0126 2650.4 sph 196.03 -2574976 335.76 5.5855 198.69 0.19824E-04 0.10140E-05 1.0110 3509.6 q 60.08 -891309 114.48 2.2956 78.017 0.95336E-04 0.35755E-05 1.0808 2617.3 System 6162.82 -84030182 12056. 200.57 7213.8 0.44438E-04 0.17040E-05 1.0333 3072.7 Seismic Properties: Gruneisen_T Ks(bar) Mu(bar) V0(km/s) Vp(km/s) Vs(km/s) Poisson ratio cAmph(G) 0.77181 0.82528E+06 0.27509E+06 5.0672 6.0900 2.9256 0.35000 Augite(G) 1.1134 0.11280E+07 0.37599E+06 5.7650 6.9287 3.3284 0.35000 Gt(W) 1.2362 0.17447E+07 0.58157E+06 6.6707 8.0171 3.8513 0.35000 Fsp(C1) 0.50412 0.62877E+06 0.20959E+06 4.8706 5.8538 2.8121 0.35000 sph 0.55563 0.99703E+06 0.33234E+06 5.3300 6.4059 3.0773 0.35000 q 0.84801 0.30229E+06 0.10076E+06 3.3985 4.0845 1.9621 0.35000 System 0.78183 0.69647E+06 0.23216E+06 4.7609 5.7219 2.7487 0.35000 Bulk Composition: mol g wt % mol/kg Na2O 2.542 157.526 2.556 0.412 MgO 8.110 326.865 5.304 1.316 Al2O3 9.265 944.628 15.328 1.503 K2O 0.105 9.928 0.161 0.017 CaO 10.146 568.957 9.232 1.646 TiO2 1.346 107.500 1.744 0.218 FeO 10.138 728.369 11.819 1.645 O2 0.488 15.616 0.253 0.079 H2O 3.416 61.543 0.999 0.554 SiO2 53.956 3241.886 52.604 8.755 Other Bulk Properties: Enthalpy (J/kg) = -.116788E+08 Specific Enthalpy (J/m3) = -.358851E+11 Entropy (J/K/kg) = 1956.23 Specific Entropy (J/K/m3) = 0.601086E+07 Heat Capacity (J/K/kg) = 1170.54 Specific Heat Capacity (J/K/m3) = 0.359669E+07 Chemical Potentials (J/mol): Na2O MgO Al2O3 K2O CaO TiO2 FeO O2 H2O SiO2 -777524. -641684. -0.165537E+07 -844479. -745815. -937853. -320446. -442311. -304209. -891309. Variance (c-p+2) = 6 ----------------------------------------