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EnglishThe system CaO–Al2O3–SiO2 (CAS) is explored in the pressure–temperature (P, T) range 0–2 GPa and 1000– 3000 K with the aim of defining the complex topology of the liquidus surface at various isobaric conditions and assessing the role of P on the stability fields and melting behavior of the various solids nucleating in the system. Calculations are carried out by coupling a generalized polymeric approach that reduces the system to two interacting sub‐lattices (Network Formers and Network Modifiers; NF, NM) with an improved and generalized convex-hull procedure that conforms mathematically the equipotential loci at the various T, P conditions. The thermodynamic model operates through a Toop's asymmetric deconvolution (interactions within the NM sub‐ lattice unaffected by NF; interactions within the NF sub‐lattice affected by NM) of the bulk Gibbs free energy of mixing. Mixing energies (chemical and strain) are calculated with a polymeric model where the individual properties of the oxides composing the NF and NM matrixes are determined by their Lux–Flood acid–base prop- erties and weighted on the basis of their electrical equivalent fractions. The convex-hull procedure locates points ontheliquidusbyliftedDelaunaytriangulation.TheisobaricliquidusatP=1bar(105 Pa)isinreasonableagree- ment with the experimental observations. As far as we know isobaric sections at higher P conditions based on calculus have never been produced in literature. Our results indicate that the primary phase fields of anorthite and gehlenite shrink progressively with increasing P and a primary phase field of grossular appears at high P predating on the fields of the neighboring phases (gehlenite, rankinite, anorthite and wollastonite). Increasing P also causes the progressive disappearance of the liquid miscibility gap at high SiO2 content. Moreover the congruent melting of anorthite becomes incongruent. The fields of rankinite (Ca3Si2O7), tri-calcium aluminate (Ca3Al2O6) and grossite (CaAl4O7) disappear at P≥1 GPa.
Thermodynamic investigation of the CaO–Al2O3–SiO2 system at high P and T through polymer chemistry and convex-hull techniques / G. Ottonello; M. Attene; D. Ameglio; D. Belmonte; M. Vetuschi Zuccolini; M. Natali. - STAMPA. - 346(2013), pp. 1-81.
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| Titolo: | Thermodynamic investigation of the CaO–Al2O3–SiO2 system at high P and T through polymer chemistry and convex-hull techniques |
| Autori: | |
| Data di pubblicazione: | 2013 |
| Rivista: | |
| Citazione: | Thermodynamic investigation of the CaO–Al2O3–SiO2 system at high P and T through polymer chemistry and convex-hull techniques / G. Ottonello; M. Attene; D. Ameglio; D. Belmonte; M. Vetuschi Zuccolini; M. Natali. - STAMPA. - 346(2013), pp. 1-81. |
| Abstract: | The system CaO–Al2O3–SiO2 (CAS) is explored in the pressure–temperature (P, T) range 0–2 GPa and 1000– 3000 K with the aim of defining the complex topology of the liquidus surface at various isobaric conditions and assessing the role of P on the stability fields and melting behavior of the various solids nucleating in the system. Calculations are carried out by coupling a generalized polymeric approach that reduces the system to two interacting sub‐lattices (Network Formers and Network Modifiers; NF, NM) with an improved and generalized convex-hull procedure that conforms mathematically the equipotential loci at the various T, P conditions. The thermodynamic model operates through a Toop's asymmetric deconvolution (interactions within the NM sub‐ lattice unaffected by NF; interactions within the NF sub‐lattice affected by NM) of the bulk Gibbs free energy of mixing. Mixing energies (chemical and strain) are calculated with a polymeric model where the individual properties of the oxides composing the NF and NM matrixes are determined by their Lux–Flood acid–base prop- erties and weighted on the basis of their electrical equivalent fractions. The convex-hull procedure locates points ontheliquidusbyliftedDelaunaytriangulation.TheisobaricliquidusatP=1bar(105 Pa)isinreasonableagree- ment with the experimental observations. As far as we know isobaric sections at higher P conditions based on calculus have never been produced in literature. Our results indicate that the primary phase fields of anorthite and gehlenite shrink progressively with increasing P and a primary phase field of grossular appears at high P predating on the fields of the neighboring phases (gehlenite, rankinite, anorthite and wollastonite). Increasing P also causes the progressive disappearance of the liquid miscibility gap at high SiO2 content. Moreover the congruent melting of anorthite becomes incongruent. The fields of rankinite (Ca3Si2O7), tri-calcium aluminate (Ca3Al2O6) and grossite (CaAl4O7) disappear at P≥1 GPa. |
| Handle: | http://hdl.handle.net/11567/532918 |
| Appare nelle tipologie: | 01.01 - Articolo su rivista |
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