Perple_X Solution Model Glossary

Introduction

This page provides a brief description of, and references for, the solution models implemented in Perple_X solution model files (e.g., solution_model.dat). The page is intended to aid users in selecting suitable solution models. The sources for the models indicated here (References, see also citing Perple_X) are more reliable than the sporadic citations in the solution model file; however the model commentaries often contain additional information about the utility of the models.

Perple_X endmember abbreviations and formulae may vary between thermodynamic data files, refer to thermodynamic_data_files for additional information.

January 19, 2010.

Table Sorted by Perple_X Abbreviations

Unless indicated otherwise, the compositional variables v, w, x, y, and z vary between zero and unity and are determined in Perple_X as a function of computational variables by free-energy minimization.

Symbol	Solution	Formula	Notes	Source
AbFsp(C1)	feldspar	K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1	C1 structural state. x>2/3, 1–x–y<~1/10. See warnings in solution model file.	[28]
Aki(fab)	akimotoite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Estimated regular parameter from source. Ilmenite structure. Use with sfo05ver.dat [33,43].	[17]
Aki(stx7)	akimotoite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Ilmenite structure. Use with stx07ver.dat [44].	[44]
Aki(stx8)	akimotoite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Ilmenite structure. Use with stx08ver.dat [54].	[54]
Amph(DHP)	clinoamphibole		Superceded by Amph(DPW)	[11]
Amph(DPW)	clinoamphibole		Superceded by cAmph(DP).	[12]
Anth	anthophyllite	Mg_7xFe_7(1–x)Si₈O₂₂(OH)₂	Ideal, does not extrapolate well to high pressure (P>3GPa).
A-phase	phase A	Mg_7xFe_7(1–x)Si₂O₈(OH)₆	Ideal.
Atg	antigorite	Mg_48xFe_48(1–x)Si₃₄O₈₅(OH)₆₂	Ideal.
B	brucite	Mg_xFe_1–x(OH)₂	Ideal.
Bio(HP)	biotite	K[Mg_xFe_yMn_1–x–y]_3–wAl_1+2wSi_3–wO₁₀(OH)₂, x+y≤1	Speciation model, new parameters from THERMOCALC, extended to cover Mn-solution.	[41]
Bio(TCC)	biotite	K[Mg_xFe_yMn_1–x–y]_{3–u–v–w}Fe³⁺_wTi_uAl_1+vSi_3–vO₁₀(OH)_2-2u, x+y≤1, u+v+w≤1	Ti-oxy and Fe3+-Tschermaks exchanges.	[45]
C2/c(stx)	C2/c pyroxene	[Mg_xFe_1–x]₄Si₄O₁₂	Use with sfo05ver.dat [33, 43] and stx07ver.dat [44].	[43]
C2/c(stx8)	C2/c pyroxene	[Mg_xFe_1–x]₄Si₄O₁₂	Use with stx08ver.dat [54].	[54]
cAmph(DP)	clinoamphibole	Ca_2(y+u+v)Na_u_+2(w+z)[Mg_xFe_1–x]_{7–3u–2v–4(w+z)}Fe³⁺_2zAl_4y+3v+2wSi_8–(y+v)O₂₂(OH)₂, u+v+w+y+z≤1	Costly speciation model, see commentary in solut_09.dat.	[14]
casmelt	melt	CaO-Al₂O₃-SiO₂ melt	Dubious.	[6]
Cc(AE)	calcite	Ca_1–xMg_xCO₃	Entropy model should be checked against source.	[2]
CF(stx8)	calcium ferrite	Na_xMg_yFe_1–x–yAl_2-xSi_xO₄, x+y≤1	Use with stx08ver.dat [54].	[54]
Chl(HP)	chlorite	[Mg_xFe_wMn_1–x–w]_5–y+zAl_2(1+y–z)Si_3–y+zO₁₀(OH)₈, x+w≤1	Speciation model. Under most circumstances afchl endmember can be excluded to save computational resources.	[29]
chum	clinohumite	Ti-F-OH-Mg-clinohumite.	Model should be checked against source.	[15]
Chum	clinohumite	Mg_9xFe_9(1–x)Si₄O₁₆(OH)₂	Ideal.
Clint	clintonite	CaMg_3–xAl_2+2xSi_2–xO₁₀(OH)₂	Ideal.
Cpx(h)	clinopyroxene	Na_1–yCa_y_+z[Mg_xFe_1–x]_y_–zAl_1-y+zSi_2+zO₆, y+z≤1	High structural state, entropy model should be verified against sources. Stability seems excessive.	[21,22]
Cpx(HP)	clinopyroxene	Na_1–yCa_yMg_xyFe_(1–x)yAl_ySi₂O₆	Disordered, new parameters from THERMOCALC, extended to cover Acmite, CaTs, and Cr-solution	[26]
Cpx(l)	clinopyroxene	Na_1–yCa_y_+z[Mg_xFe_1–x]_y_–zAl_1-y+zSi_2+zO₆, y+z≤1	Low structural state, entropy model should be verified against sources. Stability seems reasonable.	[21,22]
Cpx(stx)	clinopyroxene	Ca_2yMg_4–2x–2yFe_2xSi₄O₁₂	Use with sfo05ver.dat [33,43].	[43]
Cpx(stx7)	clinopyroxene	Ca_2yMg_4–2x–2yFe_2xSi₄O₁₂	Use with stx07ver.dat [44].	[44]
Cpx(stx8)	clinopyroxene	[Ca_1–x–yNa_xMg_y]₂[Fe_wMg_y_+zAl_{1–w–x–y–z}]₂Si₄O₁₂, w+x+y+z≤1	Use with stx08ver.dat [54].	[54]
Ctd(HP)	chloritoid	Mg_xFe_yMn_1–x–yAl₂SiO₅(OH)₂, x+y≤1		[52]
Cumm	cummingtonite	Mg_7xFe_7(1–x)Si₈O₂₂(OH)₂	Ideal.
Do(AE)	dolomite	CaMg_xFe_1–x(CO₃)₂	Entropy model should be checked against source.	[2]
Do(HP)	dolomite	CaMg_xFe_1–x(CO₃)₂		[30]
Ep(HP)	epidote	Ca₂Al_3–2xFe_2xSi₃O₁₂OH	Speciation model, parameters from THERMOCALC.
F	fluid	(H₂O)_x(CO₂)_1–x	Can be used with any Perple_X internal fluid EoS that allows X_CO2 as an independent variable.	[10]
F(salt)	fluid	(H₂O)_x(CO₂)_y(NaCl)_1–x–y	Choose fluid EoS #5 (CORK) to use this model! VERTEX will automatically computer activities from the Hafner et al. H₂O-CO₂-NaCl EoS.	[3]
feldspar	feldspar	K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1	High structural state.	[19]
Fphl	phlogopite	KMg₃AlSi₃O₁₀(OH)_2(1–x)F_x	Ideal.
Fsp(C1)	feldspar	K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1	C1 structural state. See warnings in solution model file.	[28]
GaHcSp	spinel	Mg_xFe_yZn_1–x–yAl₂O₃, x+y≤1	Normal spinel, data from Jiri Konopasek.	[36]
GCOHF	fluid	H_2xO_1–x	Can be used with any Perple_X internal fluid EoS that allows X_O as an independent variable.	[9]
Gl	glaucophane	Na₂Mg_3xFe_3(1–x)Al₂Si₈O₂₂(OH)₂	Ideal. GlTrTsPg model should be preferable.
GlTrTs	clinoamphibole	Ca_2–2wNa_2w[Mg_xFe_1–x]_3+2yAl_3–3y–wSi_7+w+yO₂₂(OH)₂, w+y≤1	Can be used in preference to GlTrTsPg to save computational resources for non-pargasitic (high P) clinoamphibole.	[48,50]
GlTrTsPg	clinoamphibole	Ca_2–2wNa_z_+2w[Mg_xFe_1–x]_3+2y+zAl_3–3y–wSi_7+w+yO₂₂(OH)₂, w+y+z≤1	Preferable for calculations over a large pressure range. See also GlTrTs and TrTsPg(HP).	[48,50]
GrAd	garnet	Ca₃Fe³⁺_2(1–x)Al_2xSi₃O₁₂	Ideal.
GrAd(EWHP)	garnet	[Fe_xCa_yMg_1–x–y]₃[Fe_1–wAl_w]₂Si₃O₁₂ x+y ≤1	Verify in original reference that W’s are for ionic model.	[16]
GrPyAlSp(B)	garnet	Fe_3xCa_3yMg_3zMn_{3(1–x–y–z)}Al₂Si₃O₁₂, x+y+z≤1		[5]
GrPyAlSp(G)	garnet	Fe_3xCa_3yMg_3zMn_{3(1–x–y–z)}Al₂Si₃O₁₂, x+y+z≤1	Check against published version.	[20]
Gt(HP)	garnet	Fe_3xCa_3yMg_3zMn_{3(1–x–y–z)}Al₂Si₃O₁₂, x+y+z≤1		[30]
Gt(stx)	garnet	[Fe_xCa_yMg_(1-x+y+z/3)]₃Al_2–2zSi_3+zO₁₂, x+y≤1	Limited majoritic substitution. Use with sfo05ver.dat [33,43] and stx07ver.dat [44].	[43]
Gt(stx8)	garnet	[(Na_1/3Al_2/3)_wFe_xCa_yMg_1-w-x-y]₃[Mg_zAl_1-z-wSi_w_+z]₂Si₂O₁₂, w+x+y+z≤1	Use with stx08ver.dat [54].	[54]
Gt(WPH)	garnet	[Fe_xCa_yMg_zMn_{1–x–y–z}]₃[Fe_1–wAl_w]₂Si₃O₁₂ x+y+z≤1	Parameters change with the wind.	[52]
hCrd	cordierite	Mg_2xFe_2yMn_2(1–x–y)Al₄Si₅O₁₈•(H₂O)_z, x+y≤1	Ideal
IlGkPy	ilmenite	Mg_xMn_yFe_1–x–yTiO₃, x+y≤1	Ideal.
IlHm(A)	ilmenite	Fe_2–xTi_xO₃	ilmenite coexisiting with magnetite, its performance at T~1473 K criticized by Ghiorso, but this probably the best model for T<1073 K. Gives solvus critical T~973 K, x~1/2.	[1]
Kf	alkali feldspar	Na_xK_1–xAlSi₃O₈	Waldbaum & Thompson mixing model for sanidine combined with low structural state endmembers.	[47]
KN-Phen	mica	K_xNa_1–xMg_yFe_zAl_3–2(y+z)Si_3+y+zO₁₀(OH)₂, z+y≤1	Extension of MuPa solution model for phengite.
lcENDI	clinopyroxne	Ca_1–yMg_1+ySi₂O₆	C2/c structure. Model should be checked against source.	[13]
lcFSHD	clinopyroxne	Ca_1–yFe_1+ySi₂O₆	C2/c structure. Model should be checked against source.	[13]
M(HP)	magnesite	Mg_xFe_1–xCO₃		[30]
MaPa	margarite	Ca_xNa_1–xAl_3+xSi_3-xO₁₀(OH)₂	Unpublished fit to field observations, gives solvus with T^crit=972 K, X^ma=1/3.
melt(HP)	melt	Na-Mg-Al-Si-K-Ca-Fe hydrous silicate melt	Model does not behave well at high pressure (P>1GPa), see other warnings in solution model file. For granitic compositions.	[27,49]
MELTS(GS)	melt	Na-Mg-Al-Si-K-Ca-Fe hydrous silicate melt	Model for P<1GPa, see warnings in solution model file. For mafic-ultramafic compositions.	[23]
MF	magnesioferrite	Mg_xFe_3–xO₄	Ideal.
Mica(CHA)	white mica	K_yCa_xNa_1–x–y(Mg_1-vFe_v)_zMg_wTi_wAl_3+x-w-zSi_3-x+zO₁₀(OH)₂, x+y≤1, w+z≤y,	Less costly than Mica(CHA1) because it does not allow Ti and Tschermaks substitutions in Ca- and Na- subsystems.	[4,8]
Mica(CHA1)	white mica	K_yCa_xNa_1–x–y(Mg_1-vFe_v)_w_+zTi_wAl_3+x-w-zSi_3-x+zO₁₀(OH)₂, x+y≤1, w+z≤1	See Mica(CHA); allows Ti and Tschermaks substitutions in Ca- and Na- subsystems.	[4,8]
Mn-Opx	orthopyroxene	[Mn_wMg_xFe_1–x–w]_2–yAl_2ySi_2–yO₆, x+w≤1	Should be merged with Opx(HP).
Mont	monticellite	Ca_xMg_2–xSiO₄	Ideal.
Mt(W)	magnetite	Ti_xFe_3–xO₄	Valid from 800 to 1300 C.	[53]
MtUl(A)	magnetite	Ti_xFe_3–xO₄	Akimoto model. Gives solvus critical T~763K, x~1/3.	[1]
MuPa	mica	K_xNa_1–xAl₃Si₃O₁₀(OH)₂	Basis for most white mica models.	[7]
Neph(FB)	nepheline	Na_xK_1–xAlSiO₄		[18]
O(HP)	olivine	Mg_2xFe_2yMn_2(1–x–y)SiO₄, x+y≤1		[30]
O(SG)	olivine	Mg_2xFe_2–2xSiO₄	Original model refit with one-parameter speciation model.	[42]
O(stx)	olivine	[Mg_xFe_1–x]₂SiO₄	Use with sfo05ver.dat [33,43]	[43]
O(stx7)	olivine	[Mg_xFe_1–x]₂SiO₄	Use with stx07ver.dat [44].	[44]
O(stx8)	olivine	[Mg_xFe_1–x]₂SiO₄	Use with stx08ver.dat [54].	[54]
oCcM(HP)	dolomite	Ca_1–xMg_xCO₃	Speciation model.	[28]
Omph(HP)	clinopyroxene	Na_y[CaMg_xFe_1–x]_1–yAl_ySi₂O₆	Speciation model, new parameters from THERMOCALC, extended to Fe-solution.	[26]
Omph(GHP)	clinopyroxene	Na_y_+w[CaMg_xFe²⁺_(1–x)]_1–y–wAl_yFe³⁺_wSi₂O₆	Costly speciation model.	[25]
Opx(HP)	orthopyroxene	[Mg_xFe_1–x]_2–yAl_2ySi_2–yO₆	Speciation model.	[26]
Opx(stx)	orthopyroxene	[Mg_xFe_1–x]_4–2yAl_4(1–y)Si₄O₁₂	Use with sfo05ver.dat [33,43] and stx07ver.dat [44].	[43]
Opx(stx8)	orthopyroxene	[Ca_wFe_xMg_1–x–w]₂[Fe_xAl_yMg_1–x–y]₂Si₄O₁₂, x+w≤1, x+y≤1	Use with stx08ver.dat [54].	[54]
OrFsp(C1)	feldspar	K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1	C1 structural state. y>1/3, 1–x–y<~1/10. Dubious, see warnings in solution model file.	[28]
oAmph(DP)	orthoamphibole	Ca_2uNa_u_+2(w+z)[Mg_xFe_1–x]_{7–3u–2v–4(w+z)}Fe³⁺_2zAl_4y+3v+2wSi_8–(y+v)O₂₂(OH)₂, u+v+w+y+z≤1	Two parameter speciation model (costly), see comments in solut_09.dat.	[14]
Osm(HP)	osumilite	KFe_2–2xMg_2x+yAl_5–ySi_7+yO₃₀	Ideal.	[31]
P	periclase	Mg_xFe_1–xO	Ideal.
Pheng(HP)	mica	K_xNa_1–xMg_yFe_zAl_3–2(y+z)Si_3+y+zO₁₀(OH)₂	Only for potassic phengite. Parameters from THERMOCALC.
Pl(h)	plagioclase	Na_xCa_1–xAl_2–xSi_2+xO₈	High structural state.	[35]
Pl(I1,HP)	feldspar	K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1	I1 structural state. y<0.04, 1–x–y<~1/10. See warnings in solution model file.	[28]
Pl(stx8)	plagioclase	Na_xCa_1–xAl_2–xSi_2+xO₈	Use with stx08ver.dat [54].	[54]
pMELTS(G)	melt	Na-Mg-Al-Si-K-Ca-Fe hydrous silicate melt	Model for P>1 GPa? See warnings in solution model file. For mafic-ultramafic compositions.	[24]
Pmp	pumpellyite	pmp-fpmp-mpmp	Model from Claudio Mazzoli.
Ppv(og)	post-perovskite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Ideal (Henry’s law limit). Use with sfo05ver.dat [33, 43] and stx07ver.dat [44].	[37],[38]
Ppv(stx8)	post-perovskite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Use with stx08ver.dat [54].	[54]
Pv(fab)	perovskite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Estimated regular parameter from source. Use with sfo05ver.dat [33, 43].	[17]
Pv(stx7)	perovskite	Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1	Use with stx07ver.dat [44] and stx08ver.dat [54].	[44]
Qpx	clinopyroxene	Ca_1–yMg_x_(1+y)Fe_(1–x)(1+y)Si₂O₆	C2/c structure. Model should be checked against source.	[39]
Ring(stx)	ringwoodite	[Mg_xFe_1–x]₂SiO₄	Use with sfo05ver.dat [33, 43].	[43]
Ring(stx7)	ringwoodite	[Mg_xFe_1–x]₂SiO₄	Use with stx07ver.dat [44].	[44]
Ring(stx8)	ringwoodite	[Mg_xFe_1–x]₂SiO₄	Use with stx08ver.dat [54].	[54]
San	sanidine	Na_xK_1–xAlSi₃O₈		[47]
San(TH)	sanidine	Na_xK_1–xAlSi₃O₈		[46]
Sapp	sapphirine	[Mg_xFe_1–x]_4–y/2Al_9–ySi_2–y/2O₂₀	Ideal, site occupancies as in THERMOCALC but extended for Fe-solution, see model comments.
Scap	scapolite	Na_3–3xCa_1+3xAl_3(1+x)Si_6–3xO₂₄CO₃	Presumably from B.K. Kuhn’s Phd.
Scp	scapolite	mizzonite-meionite	Site occupancies as in R. Abart’s Ph.D. thesis, ETH, 1995.
Sp(GS)	spinel	Mg_xFe_1–xAl₂O₃	From Ganguly & Saxena,'87. Ghiorso ’91 is similar.
Sp(HP)	spinel	Mg_xFe_1–xAl₂O₃
Sp(JR)	spinel	Mg_xFe_1–xAl₂O₃		[32]
Sp(stx)	spinel	Mg_xFe_1–xAl₂O₃	1/8 inverse spinel. Use with sfo05ver.dat [33, 43]	[43]
Sp(stx7)	spinel	Mg_xFe_1–xAl₂O₃	Use with stx07ver.dat [44].	[44]
Sp(stx8)	spinel	Mg_xFe_1–xAl₂O₃	Use with stx08ver.dat [54].	[54]
St(HP)	staurolite	Mg_4xFe_4yMn_4(1–x–y)Al₁₈Si_7.5O₄₈H₄, x+y≤1	Parameters from THERMOCALC.
Sud	sudoite	Mg_2xFe_2–2xAl₄Si₃O₁₀(OH)₄	Ideal, mixing on 2 octahedral sites.
Sud(Livi)	sudoite	Mg_2xFe_2–2xAl₄Si₃O₁₀(OH)₄	Ideal, mixing on 4 octahedral sites.	[34]
T	talc	[Mg_xFe_1–x]_3–yAl_2ySi_4–yO₁₀(OH)₂	Ideal.
TiBio(HP)	biotite	K[Mg_xFe_yMn_1–x–y]_3–w–z/2Ti_zAl_1+2wSi_3–wO₁₀(OH)₂, x+y≤1	Bio(HP) extended to cover a, dubious, Ti substitution.	[41,52]
TiBio(WPH)	biotite	K[Mg_xFe_1–x]_{3–u–v–w}Fe³⁺_wTi_uAl_1+vSi_3–vO₁₀(OH)_2-2u, u+v+w≤1	Superior to TiBio(HP), but dubious Ti site population, cf Bio(TCC).	[51]
Toop-melt	melt	Toop-Samis model for anhydrous silicate melts		[40]
Tr	tremolite	Ca₂Mg_5xFe_5(1–x)Si₈O₂₂(OH)₂	Ideal. GlTrTsPg model should be preferable.
TrTsPg(HP)	clinoamphibole	Ca₂Na_z[Mg_xFe_1–x]_3+2y+zAl_3–3ySi_7+yO₂₂(OH)₂, y+z≤1	Use in preference to GlTrTsPg to reduce costs for glaucophane-poor (low P) clinoamphibole.	[48,50]
Wad(stx)	waddsleyite	[Mg_xFe_1–x]₂SiO₄	Use with sfo05ver.dat [33, 43]	[43]
Wad(stx7)	waddsleyite	[Mg_xFe_1–x]₂SiO₄	Use with stx07ver.dat [44].	[44]
Wad(stx8)	waddsleyite	[Mg_xFe_1–x]₂SiO₄	Use with stx08ver.dat [54].	[54]
Wus(fab)	magnesiowuestite	Mg_xFe_1–xO	Estimated regular parameter from source. Use with sfo05ver.dat [33,43]	[17]
Wus(stx7)	magnesiowuestite	Mg_xFe_1–xO	Use with stx07ver.dat [44] and stx08ver.dat [54].	[44]

References

[1] Andersen DJ,Lindsley DH (1988) Internally Consistent Solution Models for Fe-Mg-Mn-Ti Oxides - Fe-Ti Oxides. American Mineralogist 73:714-26.

[2] Anovitz L,Essene EJ (1987) Phase equilibria in the system CaCO₃-MgCO₃-FeCO₃. Journal of Petrology 28:389-414.

[3] Aranovich LY, Haefner A, Connolly JAD, Gerya TV,Ulmer P (2005) Experimental determination of H₂O and CO₂ activity-composition relations in the H₂O-CO₂-NaCl fluids by reversed dehydration and decarbonation reaction. Manuscript 822-8.

[4] Auzanneau E, Schmidt MW, Vielzeuf D,Connolly JAD (2010) Titanium in phengite: a geobarometer for high temperature eclogites. Contributions To Mineralogy And Petrology 159:1-24.

[5] Berman RG (1990) Mixing Properties of Ca-Mg-Fe-Mn Garnets. American Mineralogist 75:328-44.

[6] Berman RG,Brown TH (1984) A thermodynamic model for multicomponent melts, with application to the system CaO-Al₂O₃-SiO₂. Geochimica Et Cosmochimica Acta 48:661-78.

[7] Chatterjee ND,Froese E (1975) A thermodynamic study of the pseudo-binary join muscovite-paragonite in the system KAlSi₃O₈-NaAlSi₃O₈-Al₂O₃-SiO₂-H₂O. American Mineralogist 60:985-93.

[8] Coggon R,Holland TJB (2002) Mixing properties of phengitic micas and revised garnet-phengite thermobarometers. Journal of Metamorphic Geology 20:683-96.

[9] Connolly JAD (1995) Phase-diagram methods for graphitic rocks and application to the system C-O-H-FeO-TiO₂-SiO₂. Contributions to Mineralogy and Petrology 119:94-116.

[10] Connolly JAD,Trommsdorff V (1991) Petrogenetic grids for metacarbonate rocks - pressure-temperature phase-diagram projection for mixed-volatile systems. Contributions to Mineralogy and Petrology 108:93-105.

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Perple_X Solution Model Glossary

Contents

Introduction

Table Sorted by Perple_X Abbreviations

References