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A generalized multicomponent excess function with application to immiscible liquids in the system CaO-SiO₂-TiO₂

Title data

De Capitani, Christian ; Kirschen, Marcus:
A generalized multicomponent excess function with application to immiscible liquids in the system CaO-SiO₂-TiO₂.
In: Geochimica et Cosmochimica Acta. Vol. 62 (1998) Issue 23/24 . - pp. 3753-3763.
ISSN 0016-7037
DOI: https://doi.org/10.1016/S0016-7037(98)00319-6

Abstract in another language

In order to simplify the computation of phase relations in multicomponent systems, a generalized
excess function based on Margules-type polynomials is presented. It includes a versatile extrapolation method
to higher order systems. A less-common formulation of the Gibbs-Duhem equation is used to compute the
activity coefficient from Gxs, omitting additional constraints on the derivatives such as constant (xn 1 xm) or
(xn/xm). The extrapolation of binary excess functions is applied to the ternary model system CaO-SiO₂-TiO₂
with emphasis on coexisting liquids. Because very few experimental data are available on the miscibility gaps
in this system, we determined the compositions of coexisting liquids at 1600°C and 1 bar. Experimental phase
relations are reproduced in detail using the proposed extrapolation of binary excess functions. An additional
ternary parameter is not required. Non-ideal contributions to the excess Gibbs free energy of the melt in binary
systems are modelled with Margules polynomials. Excess parameters of the melt and thermochemical standard
state values of the liquid oxides and some crystalline compounds were determined using linear programming
methods.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Engineering Science
Research Institutions > Affiliated Institutes > Fraunhofer Center for High Temperature Materials and Design (HTL)
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
500 Science > 540 Chemistry
Date Deposited: 14 Jun 2019 07:12
Last Modified: 14 Jun 2019 07:12
URI: https://eref.uni-bayreuth.de/id/eprint/49522