FACT salt database -detailed documentation

SOLUTIONS (SALTS) IN FTsalt

[FTsalt-ABrA] CsBr-[KBr-RbBr](ss)

A SOLID ALKALI BROMIDE SOLUTION

CsBr-KBr-RbBr solid solution rich in CsBr (mole fraction of CsBr > 0.4).

Calculated CsBr content must be high for calculations to be valid.

References: 3006

[FTsalt-ABrB] AlkBr(ss)

A SOLID ALKALI BROMIDE SOLUTION

LiBr-NaBr-KBr-RbBr-CsBr solid solution with CsBr only as a dilute component (mole fraction of CsBr < 0.5).

Calculated CsBr content must be low for calculations to be valid.

Possible miscibility gaps. Use J option.

[FTsalt-ACL_A] AAlkCl-ss_rocksalt

A SOLID CHLORIDE SOLUTION (Rocksalt structure)

Approved optimized sub-system of FTsalt-ACL_.

Major update replacing FACT-ACLA, FACT-ACLB and FACT-LMCL.

LiCl-NaCl-KCl-RbCl-CsCl evaluated and optimized at all compositions, with MgCl₂ and CaCl₂ in dilute solution. (MgCl₂ is only soluble in LiCl and CaCl₂ is only soluble in NaCl.)

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-ACL_A does not contain MnCl₂, FeCl₂, CoCl₂, NiCl₂ or NH₄Cl as components and so the calculated solubilities of these will always be zero if you use FTsalt-ACL_A. If MnCl₂, FeCl₂, CoCl₂ or NiCl₂ are expected to be present in appreciable amounts, use FTsalt-ACL_B. If NH₄Cl is expected to be present in appreciable amount, use FTsalt-ACL_C.

References: 3002, 3008

[FTsalt-ACL_B] BAlkCl-ss_rocksalt

A SOLID CHLORIDE SOLUTION (Rocksalt structure)

Approved optimized sub-system of FTsalt-ACL_.

LiCl-NaCl-KCl evaluated and optimized at all compositions, with MgCl₂, CaCl₂, MnCl₂, FeCl₂, CoCl₂ and NiCl₂ in dilute solution. (CaCl₂ is only soluble in NaCl and the remaining divalent chlorides exhibit non-negligible solid solubility only in LiCl.)

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-ACL_B does not contain RbCl, CsCl or NH₄Cl as components and so the calculated solubilities of these will always be zero if you use FTsalt-ACL_B. If RbCl or CsCl are expected to be present in appreciable amounts, use FTsalt-ACL_A. If NH₄Cl is expected to be present in appreciable amount, use FTsalt-ACL_C.

References: 3002, 3008

[FTsalt-ACL_C] CAlkCl-ss_rocksalt

A SOLID CHLORIDE SOLUTION (Rocksalt structure)

Approved optimized sub-system of FTsalt-ACL_.

NaCl-KCl-NH₄Cl solid solution.

Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-ACL_C contains only NaCl, KCl and NH₄Cl as components. Consequently, if you use FTsalt-ACL_C, the solubility of all other components will always be calculated as zero.

[FTsalt-ACL_?] ?AlkCl-ss_rocksalt

A SOLID CHLORIDE SOLUTION (Rocksalt structure)

Major update replacing FACT-ACLA, FACT-ACLB and FACT-LMCL.

LiCl-NaCl-KCl-RbCl-CsCl-NH₄Cl at all compositions, with MgCl₂, CaCl₂, MnCl₂, FeCl₂, CoCl₂ and NiCl₂ in dilute solution. (CaCl₂ is only soluble in NaCl and the remaining divalent chlorides exhibit non-negligible solid solubility only in LiCl.)

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

NH₄Cl has been optimized only in the NaCl-KCl-NH₄Cl system. All other binary and ternary sub-systems with NH₄Cl are assumed ideal and so calculations in such systems will only be approximate when NH₄Cl is present.

References: 3002, 3008

[FTsalt-AFA_] AlkF(ssA)

A SOLID ALKALI FLUORIDE SOLUTION

NaF-KF-RbF-CsF solid solution.

If CsF is present in appreciable amounts, then calculations with FTsalt-AFA_ are valid only if the calculated KF content is low.

If both FTsalt-AFA_ and FTsalt-AFB_ appear in the list of possible solutions in the Equilib or Phase Diagram programs, first select them both. If the calculated compositions of FTsalt-AFA_ and FTsalt-AFB_ are identical, repeat the calculation selecting only one of these two phases.

Possible miscibility gaps. Use J option.

[FTsalt-AFB_] AlkF(ssB)

A SOLID ALKALI FLUORIDE SOLUTION

NaF-KF-RbF-CsF solid solution.

If KF is present in appreciable amounts, then calculations with FTsalt-AFB_ are valid only if the calculated CsF content is low.

Possible miscibility gaps. Use J option.

[FTsalt-AIA_] AlkI(ss)

A SOLID ALKALI IODIDE SOLUTION

LiI-NaI-KI-RbI-CsI solid solution with CsI only as a dilute component (mole fraction of CsI < 0.5).

Calculated CsI content must be low for calculations to be valid.

Possible miscibility gaps. Use J option.

[FTsalt-AIB_] CsI-[KI-RbI](ss)

A SOLID ALKALI IODIDE SOLUTION

CsI-KI-RbI solid solution rich in CsI (mole fraction of CsI > 0.4).

Calculated CsI content must be high for calculations to be valid.

References: 3006

[FTsalt-ALKN] Na,K,[Rb,Cs]//NO3(ss)

A SOLID ALKALI NITRATE SOLUTION

NaNO₃-KNO₃ solid solution with RbNO₃ and CsNO₃ in solution in limited amounts.

High temperature solid solution.

References: 3004, 3017

[FTsalt-ALOH] K,Rb,Cs,[Na]//OH(HT)

A SOLID ALKALI HYDROXIDE SOLUTION

KOH-RbOH-CsOH-NaOH solid solution dilute in NaOH.

High temperature solid solution.

References: 3004, 3017

[FTsalt-AMX4A] AAlk2MX4

A SOLID CHLORIDE SOLUTION A₂MCl₄

Approved optimized sub-system of FTsalt-AMX4.

(Li,Na,K)₂[Mg,Ca,Mn,Fe(II),Co,Ni]Cl₄

Solid solution of Li₂MgCl₄, Li₂CaCl₄,....., Na₂MgCl₄,....., K₂MgCl₄,...................etc. with Li, Na and K on one cationic sublattice and Mg, Ca, Mn, Fe(II), Co and Ni on the other cationic sublattice.

Newly optimized over the entire composition range.

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-AMX4A does not contain Rb, Cs, Sr or Ba as cations and so the calculated contents of these will always be zero if you use FTsalt-AMX4A. If Rb, Cs, Sr or Ba are expected to be present in appreciable amounts, use FTsalt-AMX4B.

References: 3008, 3014

[FTsalt-AMX4B] BAlk2MX4

A SOLID CHLORIDE SOLUTION A₂MCl₄

Approved optimized sub-system of FTsalt-AMX4.

(Li,Na,K,Rb,Cs)₂[Mg,Ca,Sr,Ba]Cl₄

Solid solution of Li₂MgCl₄, Li₂CaCl₄,......, Na₂MgCl₄,......, K₂MgCl₄,......, Rb₂MgCl₄,......, Cs₂MgCl₄,...................etc. with Li, Na, K, Rb and Cs on one cationic sublattice and Mg, Ca, Sr and Ba on the other cationic sublattice.

Optimized over the entire composition range.

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-AMX4B does not contain Mn, Fe, Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-AMX4B. If Mn, Fe, Co or Ni are expected to be present in appreciable amounts, use FTsalt-AMX4A.

References: 3007, 3008, 3011

[FTsalt-AMX4C] CAlk2MX4

A SOLID FLUORIDE/CHLORIDE SOLUTION A₂MX₄

Approved optimized sub-system of FTsalt-AMX4.

(Li,Na,K)₂[Mg,Ca]{F,Cl}₄

Solid solution of Li₂MgF₄, Li₂MgCl₄, Li₂CaF₄,......, Na₂MgF₄, Na₂MgCl₄, ......, K₂MgF_4,...................etc. with Li, Na and K on one cationic sublattice, Mg and Ca on the other cationic sublattice, and F and Cl on the anionic sublattice.

Optimized over the entire composition range.

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-AMX4C does not contain Rb, Cs, Sr, Ba, Mn, Fe, Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-AMX4C. If fluoride is not present, use FTsalt-AMX4A or FTsalt-AMX4B.

References: 3008, 3009, 3010

[FTsalt-AMX4?] ?Alk2MX4

NEVER USE FTsalt-AMX4?

Because of the use of a 3-sublattice model for this phase, completely erroneous calculations may result for certain combinations of components.

[FTsalt-AMX5] AlkM2Cl5

A SOLID CHLORIDE SOLUTION AM₂Cl₅

(K,Rb)[Sr,Ba]₂Cl₅

KSr₂Cl₅-KBa₂Cl₅-RbSr₂Cl₅-RbBa₂Cl₅ solid solution.

Possible miscibility gap in Sr-rich solutions. Use I option.

References: 3011

[FTsalt-AOH_] KOH-RbOH-[NaOH](LT)

A SOLID ALKALI HYDROXIDE SOLUTION

KOH-RbOH-NaOH solid solution dilute in NaOH (mole fraction of NaOH < 0.6).

Low temperature solid solution.

References: 3004, 3017

[FTsalt-CaFH] CaF2-HT

A SOLID SOLUTION OF CaF₂ AND RARE EARTH FLUORIDES

CaF₂ solid containing LaF₃, CeF₃ and NdF₃ in dilute solution.

High temperature modification.

[FTsalt-CaFL] CaF2-LT

A SOLID SOLUTION OF CaF₂ AND RARE EARTH FLUORIDES

CaF₂ solid containing LaF₃, CeF₃ and NdF₃ in dilute solution.

Low temperature modification.

[FTsalt-CHA_] CsCl-[CsBr-CsI](ss)

A SOLID CESIUM HALIDE SOLUTION

CsCl-CsBr-CsI solid solution rich in CsCl (mole fraction of CsCl > 0.4).

Calculated CsCl content must be high for calculations to be valid.

If both FTsalt-CHA_ and FTsalt-CHB_ appear in the list of possible solutions in the Equilib or Phase Diagram programs, first select them both. If the calculated compositions of FTsalt-CHA_ and FTsalt-CHB_ are identical, repeat the calculation selecting only one of these two phases.

References: 3006

[FTsalt-CHB_] Cs-Halides(ss)

A SOLID CESIUM HALIDE SOLUTION

CsBr-CsI-CsCl solid solution dilute in CsCl (mole fraction of CsCl < 0.5).

Calculated CsCl content must be low for calculations to be valid.

References: 3006

[FTsalt-CNOH] CsNO3-[CsOH](HT)

CsNO₃-CsOH SOLID SOLUTION RICH IN CsNO₃

CsNO₃ solid with CsOH in solution in limited amounts.

High temperature modification.

References: 3017

[FTsalt-CNOL] CsNO3-[CsOH](LT)

CsNO₃-CsOH SOLID SOLUTION RICH IN CsNO₃

CsNO₃ solid with CsOH in solution in limited amounts.

Low temperature modification.

References: 3017

[FTsalt-COHN] CsOH-[CsNO3](ss)

CsOH-CsNO₃ SOLID SOLUTION RICH IN CsOH

CsOH solid with CsNO₃ in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-CRKN] Rb,Cs,[K]//NO3(ss)

A SOLID ALKALI NITRATE SOLID SOLUTION

RbNO₃-CsNO₃-KNO₃ solid solution dilute in KNO₃.

High temperature solid solution.

References: 3017

[FTsalt-CsCN] CsCl-[CsNO3](ss)

CsCl-CsNO₃ SOLID SOLUTION RICH IN CsCl

CsCl solid with CsNO₃ in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-CsKN] CsNO3-[KNO3](ss)

CsNO₃-KNO₃ SOLID SOLUTION RICH IN CsNO₃

CsNO₃ solid with KNO₃ in solution in limited amounts.

Low temperature solid binary solution.

References: 3017

[FTsalt-CsNB] CsNO3-CsBr(ss)

CsNO₃-CsBr SOLID SOLUTION

CsNO₃-CsBr high temperature solid binary solution.

References: 3017

[FTsalt-CsNC] CsNO3-[CsCl](ss)

CsNO₃-CsCl SOLID SOLUTION RICH IN CsNO₃

CsNO₃ solid with CsCl in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-CSOA] Li,Na,K//SO4,CO3(ss)

A SOLID ALKALI SULFATE/CARBONATE SOLUTION

Li,Na,K//SO₄,CO₃ rich in Li₂SO₄ (mole fraction of Li₂SO₄ > 0.4).

Li₂SO₄-Na₂SO₄-K₂SO₄-Li₂CO₃-Na₂CO₃-K₂CO₃ solid solution.

Calculations valid only if calculated Li₂SO₄ content is high.

If both FTsalt-CSOA and FTsalt-CSOB appear in the list of possible solutions in the Equilib or Phase Diagram programs, first select them both. If the calculated compositions of FTsalt-CSOA and FTsalt-CSOB are identical, repeat the calculation selecting only one of these two phases.

Possible miscibility gaps. Use J option.

[FTsalt-CSOB] [Li],Na,K//SO4,CO3(ss)

A SOLID ALKALI SULFATE/CARBONATE SOLUTION

Li,Na,K//SO₄,CO₃ dilute in both Li₂SO₄ and Li₂CO₃ (the mole fractions of Li₂SO₄ and Li₂CO₃ are both < 0.5).

Li₂SO₄-Na₂SO₄-K₂SO₄-Li₂CO₃-Na₂CO₃-K₂CO₃ solid solution.

Calculations valid only if calculated Li₂SO₄ and Li₂CO₃ contents are relatively low.

Possible miscibility gaps. Use J option.

[FTsalt-KCO_] K,Na//CO3,SO4(ss)

A SOLID ALKALI CARBONATE/SULFATE SOLUTION

K₂CO₃ with Na₂CO₃, K₂SO₄ and Na₂SO₄ in solution (mole fraction of K₂CO₃ > 0.4).

Low temperature modification.

Calculated composition must be rich in K₂CO₃ to be valid.

Possible miscibility gap. Use I option.

[FTsalt-KCOH] KCl-KOH(ss)

KCl-KOH SOLID SOLUTION

KCl-KOH high temperature solid binary solution.

References: 3004

[FTsalt-KFOH] KF-KOH(ss)

KF-KOH SOLID SOLUTION

KF-KOH high temperature solid binary solution.

References: 3004

[FTsalt-KHA_] K-Halides(ssA)

A POTASSIUM HALIDE SOLID SOLUTION

KCl-KBr-KI solid solution.

If KI is present in appreciable amounts, then calculations with FTsalt-KHA_ are valid only if the calculated KCl content is low.

If both FTsalt-KHA_ and FTsalt-KHB_ appear in the list of possible solutions in the Equilib or Phase Diagram programs, first select them both. If the calculated compositions of FTsalt-KHA_ and FTsalt-KHB_ are identical, repeat the calculation selecting only one of these two phases.

References: 3006

[FTsalt-KHB_] K-Halides(ssB)

A POTASSIUM HALIDE SOLID SOLUTION

KCl-KBr-KI solid solution.

If KCl is present in appreciable amounts, then calculations with FTsalt-KHB_ are valid only if the calculated KI content is low.

References: 3006

[FTsalt-KNBr] KNO3-[KBr](ss)

KNO₃-KBr SOLID SOLUTION RICH IN KNO₃

KNO₃ solid with KBr in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-KNI_] KNO3-[KI](ss)

KNO₃-KI SOLID SOLUTION RICH IN KNO₃

KNO₃ solid with KI in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-KNSO] K3Na(SO4)2

SOLID NON-STOICHIOMETRIC K₃Na_(1+x)(SO₄)₂

Dilute solid solution of Na₂SO₄ in K₃Na(SO₄)₂.

[FTsalt-KOHB] KOH-[KBr](ss)

KOH-KBr SOLID SOLUTION RICH IN KOH

KOH solid with KBr in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-KSO_] K,Na//SO4,CO3(ss)

A SOLID ALKALI SULFATE/CARBONATE SOLUTION

K₂SO₄ with Na₂SO₄, Na₂CO₃ and K₂CO₃ in solution (mole fraction of K₂SO₄ > 0.4).

Low temperature modification.

Calculated composition must be rich in K₂SO₄ to be valid.

Possible miscibility gap. Use I option.

[FTsalt-LCSO] liq-K,Ca//CO3,SO4

A MOLTEN CARBONATE-SULFATE SOLUTION

K,Ca//CO₃,SO₄

Molten reciprocal solution K₂CO₃-K₂SO₄-CaCO₃-CaSO₄.

Possible miscibility gap. Use I option.

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-LiFS] LiF-[MgF2](ss)

A SOLID LITHIUM FLUORIDE SOLUTION

Solid LiF with dilute amounts of MgF₂ in solution.

Calculated LiF content must be high for calculations to be valid.

This phase has NOT been optimized to be consistent with the liquid cryolite phase in the FThall database. It is consistent with the liquid solution FTsalt-SALT.

References: 3009

[FTsalt-LiHA] Li-Halides(ss)

A SOLID LITHIUM HALIDE SOLUTION

LiCl-LiBr-LiI solid solution.

References: 3006

[FTsalt-LNSO] LiNaSO4

SOLID NON-STOICHIOMETRIC LiNaSO₄

Li(1 ± x)NaSO₄ non-stoichiometric compound.

Described formally as a solution of Li₂SO₄ and Na₂SO₄ of nearly equal mole fractions.

[FTsalt-LSUL] liq-Ca,Mg,Na//SO4

A MOLTEN SULFATE SOLUTION

CaSO₄-MgSO₄-Na₂SO₄ liquid solution.

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-MClH] (Sr,Ba,[Ca])Cl2(HT)

A SOLID CHLORIDE SOLUTION

SrCl₂-BaCl₂ solid solution with CaCl₂ as a dilute component.

High temperature modification.

Distorted CaF₂ structure.

References: 3011

[FTsalt-MClL] (Ca,Sr,[Ba,Mg])Cl2(ss)

A SOLID CHLORIDE SOLUTION

CaCl₂-SrCl₂ solid solution with BaCl₂ and MgCl₂ in limited amounts (mole fraction of MgCl₂ < 0.5). Fluorite structure.

FTsalt-MClL is the CaCl₂-SrCl₂ solid fluorite structure solution which dissolves some BaCl₂ and MgCl₂, while FTsalt-MClH is the high temperature modification which is always dilute in CaCl₂.

Possible miscibility gap when both SrCl₂ and CaCl₂ are present. Use I option.

References: 3011

[FTsalt-MCOH] MgCl2-[Mg(OH)2](ss)

MgCl₂-Mg(OH)₂ SOLID SOLUTION RICH IN MgCl₂

MgCl₂-Mg(OH)₂ solid solution (rich in MgCl₂, dilute in Mg(OH)₂).

[FTsalt-MgF2] MgF2-[LiF](ss)

A SOLID MAGNESIUM FLUORIDE SOLUTION

Solid MgF₂ with dilute amounts of LiF in solution.

Calculated MgF₂ content must be high for calculations to be valid.

This phase has NOT been optimized to be consistent with the liquid cryolite phase in the FThall database. It has been optimized to be consistent with the liquid solution FTsalt-SALT.

References: 3009

[FTsalt-NaNI] NaNO3-[NaI](ss)

NaNO₃-NaI SOLID SOLUTION RICH IN NaNO₃

NaNO₃ solid with NaI in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-NCOA] NaOH-[NaCl](ss)

NaOH-NaCl SOLID SOLUTION RICH IN NaOH

NaOH-NaCl solid solution rich in NaOH (mole fraction of NaCl < 0.6).

References: 3004

[FTsalt-NCOB] NaCl-[NaOH](ss)

NaCl-NaOH SOLID SOLUTION RICH IN NaCl

NaCl-NaOH solid solution rich in NaCl (mole fraction of NaOH < 0.6).

References: 3004

[FTsalt-NFOH] NaF-NaOH(ss)

NaF-NaOH SOLID SOLUTION

NaF-NaOH high temperature solid binary solution.

References: 3004

[FTsalt-NHA_] Na-Halides(ssA)

A SODIUM HALIDE SOLID SOLUTION

NaCl-NaBr-NaI solid solution.

If NaCl is present in appreciable amounts, then calculations with FTsalt-NHA_ are valid only if the calculated NaI content is low.

If both FTsalt-NHA_ and FTsalt-NHB_ appear in the list of possible solutions in the Equilib or Phase Diagram programs, first select them both. If the calculated compositions of FTsalt-NHA_ and FTsalt-NHB_ are identical, repeat the calculation selecting only one of these two phases.

References: 3006

[FTsalt-NHB_] Na-Halides(ssB)

A SODIUM HALIDE SOLID SOLUTION

NaCl-NaBr-NaI solid solution.

If NaI is present in appreciable amounts, then calculations with FTsalt-NHB_ are valid only if the calculated NaCl content is low.

References: 3006

[FTsalt-NHCl] NH4Cl-[KCl](ss)

NH₄Cl-KCl SOLID SOLUTION RICH IN NH₄Cl

Solid NH₄Cl with KCl in solution in limited amounts (mole fraction of KCl < 0.2).

Low temperature modification (< 185^oC).

[FTsalt-NKCA] Na2CO3-[K2CO3](LT)

Na₂CO₃-K₂CO₃ SOLID SOLUTION RICH IN Na₂CO₃

Na₂CO₃ solid with K₂CO₃ in solution in limited amounts (mole fraction of K₂CO₃ < 0.6).

Very low temperature modification.

References: 3005

[FTsalt-NKCB] Na2CO3-[K2CO3](HT)

Na₂CO₃-K₂CO₃ SOLID SOLUTION RICH IN Na₂CO₃

Na₂CO₃ solid with K₂CO₃ in solution in limited amounts (mole fraction of K₂CO₃ < 0.5).

Higher temperature modification than FTsalt-NKCA.

References: 3005

[FTsalt-NKNA] KNO3-[NaNO3](LT)

KNO₃-NaNO₃ SOLID SOLUTION RICH IN KNO₃

KNO₃ solid with NaNO₃ in solution in limited amounts (mole fraction of NaNO₃ < 0.6).

Low temperature modification.

References: 3004

[FTsalt-NKSO] Na2SO4-[K2SO4](ss)

Na₂SO₄-K₂SO₄ SOLID SOLUTION RICH IN Na₂SO₄

Na₂SO₄ solid with K₂SO₄ in solution in limited amounts (mole fraction of K₂SO₄ < 0.6).

Low temperature modification.

References: 3005

[FTsalt-NLF_] NaF-[LiF](ss)

NaF-LiF SOLID SOLUTION RICH IN NaF

NaF solid with LiF in solution in limited amounts (mole fraction of LiF < 0.6).

This phase has NOT been optimized to be consistent with the liquid cryolite phase in the FThall database. It has been optimized to be consistent with the liquid solution FTsalt-SALT.

References: 3002

[FTsalt-NLOH] NaOH-[LiOH](ss)

NaOH-LiOH SOLID SOLUTION RICH IN NaOH

NaOH solid with LiOH in solution in limited amounts.

High temperature solid binary solution.

References: 3004

[FTsalt-PRVKA] AAMX3-Perovskite

A SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

Approved optimized sub-system of FTsalt-PRVK.

(Li,Na,K)[Mg,Ca,Mn,Fe(II),Co,Ni]Cl₃

Solid perovskite solution of LiMgCl₃, LiCaCl₃,....., NaMgCl₃,....., KMgCl₃,...................etc. with Li, Na and K on one cationic sublattice and Mg, Ca, Mn, Fe(II), Co and Ni on the other cationic sublattice.

Newly optimized over the entire composition range.

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-PRVKA does not contain Rb, Cs, Sr or Ba as cations and so the calculated contents of these will always be zero if you use FTsalt-PRVKA. If Rb, Cs, Sr or Ba are expected to be present in appreciable amounts, use FTsalt-PRVKB.

References: 3008, 3014

[FTsalt-PRVKB] BAMX3-Perovskite

A SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

Approved optimized sub-system of FTsalt-PRVK.

(Li,Na,K,Rb,Cs)[Mg,Ca,Sr,Ba]Cl₃

Solid perovskite solution of LiMgCl₃, LiCaCl₃,......, NaMgCl₃,......, KMgCl₃,......, RbMgCl₃,......, CsMgCl₃,...................etc. with Li, Na, K, Rb and Cs on one cationic sublattice and Mg, Ca, Sr and Ba on the other cationic sublattice.

Optimized over the entire composition range.

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-PRVKB does not contain Mn, Fe, Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-PRVKB. If Mn, Fe, Co or Ni are expected to be present in appreciable amounts, use FTsalt-PRVKA.

References: 3007, 3008, 3011

[FTsalt-PRVKC] CAMX3-Perovskite

A SOLID FLUORIDE/CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

Approved optimized sub-system of FTsalt-PRVK.

(Li,Na,K)[Mg,Ca]{F,Cl}₃

Solid perovskite solution of LiMgF₃, LiMgCl₃, LiCaF₃,......, NaMgF₃, NaMgCl₃,......, KMgF₃,...................etc. with Li, Na and K on one cationic sublattice, Mg and Ca on the other cationic sublattice, and F and Cl on the anionic sublattice.

Optimized over the entire composition range.

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

FTsalt-PRVKC does not contain Rb, Cs, Sr, Ba, Mn, Fe, Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-PRVKC. If fluoride is not present, use FTsalt-PRVKA or FTsalt-PRVKB.

References: 3008, 3009, 3010

[FTsalt-PRVK?] ?AMX3-Perovskite

NEVER USE FTsalt-PRVK?

Because of the use of a 3-sublattice model for this phase, completely erroneous calculations may result for certain combinations of components.

[FTsalt-RbCO] RbCl-[RbOH](ss)

RbCl-RbOH SOLID SOLUTION RICH IN RbCl

RbCl solid with RbOH in solution in limited amounts.

References: 3017

[FTsalt-RbHA] Rb-Halides(ss)

A RUBIDIUM HALIDE SOLID SOLUTION

RbCl-RbBr-RbI solid solution.

References: 3006

[FTsalt-RbNB] RbNO3-RbBr(ss)

RbNO₃-RbBr SOLID SOLUTION

RbNO₃-RbBr high temperature solid binary solution.

References: 3017

[FTsalt-RbOC] RbOH-[RbCl](ss)

RbOH-RbCl SOLID SOLUTION RICH IN RbOH

RbOH solid with RbCl in solution in limited amounts.

High temperature solid binary solution.

References: 3017

[FTsalt-ReCS] RareEarth-Chloride(ss)

A SOLID RARE EARTH CHLORIDE SOLUTION

LaCl₃-CeCl₃-NdCl₃ solid solution.

[FTsalt-ReFS] RareEarth-Fluoride(ss)

A SOLID SOLUTION OF RARE EARTH FLUORIDES WITH CaF₂

LaF₃-CeF₃-NdF₃ solid solution with CaF₂ in small amounts.

[FTsalt-R-3m] MCl2_SOLID

A SOLID CHLORIDE SOLUTION

Mg,Mn,Fe,Co,Ni,[Li]//Cl

Solid chloride solution with R[]m space group.

MgCl₂-MnCl₂-FeCl₂-CoCl₂-NiCl₂ at all compositions, (with limited solubility of LiCl in MgCl₂-rich solutions).

Possible miscibility gap if NiCl₂ is present. Use I option.

References: 3008, 3013

[FTsalt-SALTA] ASalt-liquid

A MOLTEN HALIDE SOLUTION

Approved optimized sub-system of FTsalt-SALT.

Major update of FACT-SALT.

Li,Na,K,Mg,Ca//Cl,F(dilute; O,OH)

(Chlorides and fluorides of Li, Na, K, Mg and Ca with O[2-] and OH[-] in dilute amounts.)

Evaluated and optimized at all compositions including reciprocal systems (systems with two or more cations and two or more anions).

Evaluations for O and OH in dilute solutions rich in fluorides are less precise than when rich in chlorides.

Possible miscibility gap in reciprocal systems. Use J option.

References: 3002, 3008, 3009, 3010

[FTsalt-SALTB] BSalt-liquid

A MOLTEN CHLORIDE SOLUTION

Approved optimized sub-system of FTsalt-SALT.

Li,Na,K,Mg,Ca,Mn,Fe(II),Fe(III),Co,Ni //Cl (dilute; O,OH)

LiCl-NaCl-KCl-MgCl₂-CaCl₂-MnCl₂-FeCl₂-FeCl₃-CoCl₂-NiCl₂ with O[2-] and OH[-] in dilute amounts.

Molten chloride system newly evaluated and optimized at all compositions. Evaluations for O and OH in dilute solutions containing MnCl₂, FeCl₂, FeCl₃, CoCl₂ and/or NiCl₂ are much less precise than in dilute solutions containing LiCl, NaCl, KCl, MgCl₂ and/or CaCl₂.

References: 3002, 3008, 3013, 3014, 3016

[FTsalt-SALTC] CSalt-liquid

A MOLTEN CHLORIDE SOLUTION with AlCl₃

Approved optimized sub-system of FTsalt-SALT.

Li,Na,K,Mg,Ca,Mn,Fe(II),Fe(III),Co,Ni,Al(tetra),Al(penta),Al₂[6+] //Cl

LiCl-NaCl-KCl-MgCl₂-CaCl₂-MnCl₂-FeCl₂-FeCl₃-CoCl₂-NiCl₂-AlCl₃ liquid solution

A distinction among 4-coordinated Al[3+] (Al tetra), 5-coordinated Al[3+] (Al penta) and dimeric Al₂[6+] is made in the model. The 5-coordinated Al[3+] species (Al penta) was introduced only in order to be consistent with the model used for AlF₃-based (cryolitic) systems (see FThall database).

Newly evaluated and optimized at all compositions.

(The AlCl₃-FeCl₃ binary system was assumed ideal. Note also that the 2 binary terminal solid solutions in the AlCl₃-FeCl₃ system remain to be optimized.)

Miscibility gaps in solutions with AlCl₃. Use J option.

References: 3002, 3008, 3013, 3014, 3015, 3016

For molten (cryolitic) solutions containing AlF₃ use the FThall database.

References: 3012

[FTsalt-SALTD] DSalt-liquid

A MOLTEN CHLORIDE SOLUTION

Approved optimized sub-system of FTsalt-SALT.

Li,Na,K,Rb,Cs,Mg,Ca,Sr,Ba//Cl (dilute; O,OH)

LiCl-NaCl-KCl-RbCl-CsCl-MgCl₂-CaCl₂-SrCl₂-BaCl₂ with O[2-] and OH[-] in dilute amounts.

Molten chloride system evaluated and optimized at all compositions. Evaluations for O and OH in dilute solutions containing RbCl, CsCl, SrCl₂ and/or BaCl₂ are much less precise than in dilute solutions containing LiCl, NaCl, KCl, MgCl₂ and/or CaCl₂.

References: 3002, 3007, 3008, 3011

[FTsalt-SALTE] ESalt-liquid

A MOLTEN ALKALI SALT SOLUTION

Approved optimized sub-system of FTsalt-SALT.

Update of FACT-SALT.

Li,Na,K,Rb,Cs //F,Cl,Br,I,NO₃,OH

Molten salt solution of all fluorides, chlorides, bromides, iodides, nitrates and hydroxides of Li, Na, K, Rb and Cs.

All binary systems (AX-AY and AX-BX) have been evaluated and optimized, with the exception of: LiI-LiNO₃, RbF-RbNO₃, RbF-RbOH, RbCl-RbNO₃, RbBr-RbOH, RbI-RbNO₃, RbI-RbOH, CsF-CsOH, CsCl-CsOH, CsBr-CsOH, CsI-CsOH and CsI-CsNO₃ for which ideal liquid solutions are assumed.

All ternary common-ion systems (AX-BX-CX and AX-AY-AZ) of the Li,Na,K,Rb,Cs//F,Cl,Br,I sub-system have been evaluated and optimized.

Reciprocal ternary systems (those containing two cations and two anions) optimized only for fluorides and chlorides of Li, Na and K (as in FTsalt-SALTA). Other reciprocal ternary interactions are estimated. Hence, calculations for most multicomponent common-ion systems should be good, but calculations for multicomponent reciprocal systems (containing 2 or more cations and 2 or more anions) will not be as good if any of Rb, Cs, Br, I, NO₃ or OH are present.

Possible miscibility gap in reciprocal systems. Use J option.

FTsalt-SALTE is the only approved FTsalt-SALTx solution containing Br and I. OH and NO₃ are also found in FTsalt-SALTF. (OH is also found in other FTsalt-SALTx solutions, but only in dilute amounts.)

Rb and Cs are also found in FTsalt-SALTD and FTsalt-SALTG.

References: 3002, 3004, 3006, 3017

[FTsalt-SALTF] FSalt-liquid

A MOLTEN ALKALI SALT SOLUTION

Approved optimized sub-system of FTsalt-SALT.

Update of FACT-SALT.

Li,Na,K //F,Cl,NO₃,OH,SO₄,CO₃

Molten salt solution of all fluorides, chlorides, nitrates, hydroxides, sulfates and carbonates of Li, Na and K.

All binary systems (AX-AY and AX-BX) but no ternary common-ion systems (AX-BX-CX and AX-AY-AZ) have been evaluated and optimized except LiF-NaF-KF and LiCl-NaCl-KCl.

Reciprocal ternary systems (those containing two cations and two anions) optimized only for fluorides and chlorides of Li, Na and K (as in FTsalt-SALTA). Other reciprocal ternary interactions are estimated. Hence, calculations for multicomponent common-ion systems should be good, but calculations for multicomponent reciprocal systems (containing 2 or more cations and 2 or more anions) will not be as good if any of NO₃, OH, SO₄ or CO₃ are present.

Possible miscibility gap in reciprocal systems. Use J option.

FTsalt-SALTF is the only FTsalt-SALTx solution containing SO₄ and CO₃. However, molten salt solutions containing sulfates and/or carbonates are also found in FTsalt-LCSO and FTsalt-LSUL. OH and NO₃ are also found in FTsalt-SALTE. (OH is also found in other FTsalt-SALTx solutions, but only in dilute amounts.)

References: 3002, 3003, 3004, 3005

[FTsalt-SALTG] GSalt-liquid

A MOLTEN CHLORIDE SOLUTION containing rare-earth chlorides

Approved optimized sub-system of FTsalt-SALT.

Li,Na,K,Rb,Cs,La,Ce //Cl

LiCl-NaCl-KCl-RbCl-CsCl-LaCl₃-CeCl₃ (The LaCl₃-CeCl₃ binary system was assumed ideal.)

This is the only FTsalt molten salt solution containing rare earth salts with Na, K, Rb or Cs halides. Other molten salt solutions containing rare earth halides are found in FTsalt-SAL2.

NEVER select FTsalt-SALT and FTsalt-SAL2 SIMULTANEOUSLY.

References: 3002, 3008, 3018

[FTsalt-SALTH] HSalt-liquid

A MOLTEN CHLORIDE SOLUTION containing PbCl₂

Approved optimized sub-system of FTsalt-SALT.

Na,K,Ca,Pb //Cl

NaCl-KCl-CaCl₂-PbCl₂.

This is the only approved FTsalt molten salt solution containing PbCl₂.

References: 3002, 3008, 3019

[FTsalt-SALT?] ?Salt-liquid

GENERAL MOLTEN SALT SOLUTION

Major update of FACT-SALT.

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been assumed ideal or have been approximated.

For the approved sub-systems of components for which data have been evaluated and optimized, scan up to see the descriptions of FTsalt-SALTA, SALTB, ……………, SALTH.

SPECIAL MEASURES MUST BE TAKEN IF YOU USE FTsalt-SALT?

These measures are a result of the sublattice model used for this solution.

IF YOU DO NOT TAKE THESE MEASURES, THE CALCULATIONS MAY BE COMPLETELY ERRONEOUS!!

Right click on FTsalt-SALT? and then go through the list of components to make sure that the selected components (those marked with a +) constitute a complete set of cation/anion pairs. For example, suppose that the selected components contain cations A, B and C and anions X, Y and Z. There must then be exactly 9 selected components of all possible pairs: AX, AY, AZ, BX, BY, BZ, CX, CY, CZ. If this is not the case, you will have to de-select certain components (click on the + to remove it) until this criterion is satisfied.

If AlCl₃ is present do NOT use FTsalt-SALT?. Use FTsalt-SALTC.

Possible miscibility gaps in reciprocal systems (systems with 2 or more cations and 2 or more anions.) Use J option.

References: 3002, 3003, 3004, 3005, 3006, 3007, 3008, 3009, 3010, 3011, 3013, 3014, 3015, 3016, 3017, 3018, 3019

[FTsalt-SAL2A] Aliquid-REhalide

A MOLTEN RARE EARTH FLUORIDE SOLUTION

Approved optimized sub-system of FTsalt-SAL2.

Li,Mg,Ca,La,Ce,Nd//F

Liquid solution LiF-MgF₂-CaF₂-LaF₃-CeF₃-NdF₃.

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-SAL2B] Bliquid-REhalide

A MOLTEN RARE EARTH CHLORIDE SOLUTION

Approved optimized sub-system of FTsalt-SAL2.

Li,Mg,Ca,La,Ce,Nd//Cl

Liquid solution LiCl-MgCl₂-CaCl₂-LaCl₃-CeCl₃-NdCl₃.

Another approved rare earth chloride solution is found in FTsalt-SALTG.

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-SAL2C] Cliquid-REhalide

A MOLTEN LANTHANUM HALIDE SOLUTION

Approved optimized sub-system of FTsalt-SAL2.

Liquid LaCl₃-LaF₃ solution.

(all other components will be calculated as insoluble.)

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-SAL2D] Dliquid-REhalide

A MOLTEN CERIUM HALIDE SOLUTION

Approved optimized sub-system of FTsalt-SAL2.

Liquid CeCl₃-CeF₃ solution.

(all other components will be calculated as insoluble.)

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-SAL2E] Eliquid-REhalide

A MOLTEN NEODYMIUM HALIDE SOLUTION

Approved optimized sub-system of FTsalt-SAL2.

Liquid NdCl₃-NdF₃ solution.

(all other components will be calculated as insoluble.)

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-SAL2?] ?liquid-REhalide

A MOLTEN RARE EARTH HALIDE SOLUTION

Li,Mg,Ca,La,Ce,Nd//F,Cl

Molten salt solution of fluorides and chlorides of Li, Mg, Ca, La, Ce and Nd.

Reciprocal solutions (containing 2 or more cations and 2 or more anions) have not been optimized and are estimated from the model. Reciprocal systems are sensitive to thermodynamic properties, and so calculations involving reciprocal systems will only be very approximate.

When using FTsalt-SAL2? NEVER remove any components from the list of selected components. Due to the nature of the sublattice model, this could result in completely erroneous calculations.

Possible miscibility gaps in reciprocal systems (those containing 2 or more cations and 2 or more anions.) Use J option.

Do NOT select MORE THAN ONE of the liquid solutions FTsalt-SALT, FTsalt-SAL2, FTsalt-LSUL and FTsalt-LCSO SIMULTANEOUSLY.

[FTsalt-SBCl] (Ba,[Sr])Cl2(LT)

BaCl₂-SrCl₂ SOLID SOLUTION RICH IN BaCl₂

BaCl₂ solid with SrCl₂ in solution in limited amounts.

Low temperature modification. Orthorhombic PbCl₂ structure.

References: 3011

[FTsalt-SCMO] MgSO4-CaSO4(ss)

MgSO₄-CaSO₄ SOLID SOLUTION

MgSO₄-CaSO₄ solid binary solution.

Optimized for consistency with the liquid solution FTsalt-LSUL.

[FTsalt-SCSO] K,[Ca]//CO3,SO4(ss)

A SOLID CARBONATE/SULFATE SOLUTION

K₂CO₃-K₂SO₄ solid solution with CaCO₃ and CaSO₄ in limited amounts (the mole fractions of CaCO₃ and CaSO₄ are both < 0.5).

Optimized for consistency with the liquid solution FTsalt-LCSO.

Possible miscibility gap. Use I option.

[FTsalt-SSUL] Na,[Mg,Ca]//SO4(ss)

A SOLID SULFATE SOLUTION

Na₂SO₄-MgSO₄-CaSO₄ solid solution rich in Na₂SO₄. (Must be rich in Na₂SO₄ for calculations to be valid.)

Optimized for consistency with the liquid solution FTsalt-LSUL.