CHEMICAL MASS-TRANSFER IN MAGMATIC PROCESSES .4. A REVISED AND INTERNALLY CONSISTENT THERMODYNAMIC MODEL FOR THE INTERPOLATION AND EXTRAPOLATION OF LIQUID-SOLID EQUILIBRIA IN MAGMATIC SYSTEMS AT ELEVATED-TEMPERATURES AND PRESSURES
Ms. Ghiorso et Ro. Sack, CHEMICAL MASS-TRANSFER IN MAGMATIC PROCESSES .4. A REVISED AND INTERNALLY CONSISTENT THERMODYNAMIC MODEL FOR THE INTERPOLATION AND EXTRAPOLATION OF LIQUID-SOLID EQUILIBRIA IN MAGMATIC SYSTEMS AT ELEVATED-TEMPERATURES AND PRESSURES, Contributions to Mineralogy and Petrology, 119(2-3), 1995, pp. 197-212
A revised regular solution-type thermodynamic model for twelve-compone
nt silicate liquids in the system O2-Al2O3-Fe2O3-Cr2O3-FeO-MgO-CaO-Na2
O-K2O-P2O5-H2O is calibrated. The model is referenced to previously pu
blished standard state thermodynamic properties and is derived from a
set of internally consistent thermodynamic models for solid solutions
of the igneous rock forming minerals, including: (Mg, Fe2+ Ca)-olivine
s, (Na, Mg, Fe2+, Ca)(M2) (Mg, Fe2+, Ti, Fe3+, Al)(M1) (Fe3+, Al, Si)(
2) O-TET(6-) pyroxenes, (Na,Ca,K)-feldspars, (Mg, Fe2+) (Fe3+, Al, Cr)
(2)O-4-(Mg, Fe2+)(2) TiO4 spinels and (Fe2+, Mg, Mn2+)TiO3-Fe2O3 rhomb
ohedral oxides. The calibration utilizes over 2,500 experimentally det
ermined compositions of silicate liquids coexisting at known temperatu
res, pressures and oxygen fugacities with apatite +/- feldspar +/- leu
cite +/- olivine +/- pyroxene +/- quartz +/- rhombohedral oxides +/- s
pinel +/- whitlockite ) water. The model is applicable to natural magm
atic compositions (both hydrous and anhydrous), ranging from potash an
karatrites to rhyolites, over the temperature(T) range 900 degrees-170
0 degrees C and pressures (P) up to 4 GPa. The model is implemented as
a software package (MELTS) which may be used to simulate igneous proc
esses such as (1) equilibrium or fractional crystallization, (2) isoth
ermal, isenthalpic or isochoric assimilation, and (3) degassing of vol
atiles. Phase equilibria are predicted using the MELTS package by spec
ifying bulk composition of the system and either (1) T and P, (2) enth
alpy (H) and P, (3) entropy (S) and P, or (4) T and volume (V). Phase
relations in systems open to oxygen are determined by directly specify
ing the f(O2) or the T-P-f(O2) (or equivalently H-P-f(O2), S-P-f(O2),
T-V-f(O2)) evolution path. Calculations are performed by constrained m
inimization of the appropriate thermodynamic potential. Compositions a
nd proportions of solids and liquids in the equilibrium assemblage are
computed.