A model to calculate the viscosity of silicate melts

Brosh, Eli; Pelton, Arthur D.; Decterov, Sergei A.

doi:10.3139/146.110639

Cited by 27 publications

(9 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…1, the temperature obtained by this definition is in surprisingly good agreement with the temperature range where C P of undercooled liquid drops (the viscosity was calculated using the model for oxide liquids [49], which fits the numerous experimental data on the viscosity of liquid and glass B 2 O 3 ). The same viscosity model [49][50][51][52][53] was also used to estimate the glass transition temperatures for liquids with diopside (CaMgSi 2 O 6 ), anorthite (CaAl 2 Si 2 O 8 ) and albite (NaAlSi 3 O 8 ) compositions. The calculated glass transition temperatures corresponding to the viscosity equal to 10 12 Pa s were within 50 K of the temperature ranges where the drop of C P was reported [54].…”

Section: Glasses and The Glass Transitionmentioning

confidence: 99%

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Becker

Ågren

Baricco

et al. 2013

Physica Status Solidi (b)

Self Cite

View full text Add to dashboard Cite

We describe current approaches to thermodynamic modelling of liquids for the CALPHAD method, the use of available experimental methods and results in this type of modelling, and considerations in the use of atomic-scale simulation methods to inform a CALPHAD approach. We begin with an overview of the formalism currently used in CALPHAD to describe the temperature dependence of the liquid Gibbs free energy and outline opportunities for improvement by reviewing the current physical understanding of the liquid. Brief descriptions of experimental methods for extracting high-temperature data on liquids and the preparation of undercooled liquid samples are presented.Properties of a well-determined substance, B 2 O 3 , including the glass transition, are then discussed in detail to emphasize specific modelling requirements for the liquid. We then examine the two-state model proposed for CALPHAD in detail and compare results with experiment and theory, where available. We further examine the contributions of atomic-scale methods to the understanding of liquids and their potential for supplementing available data. We discuss molecular dynamics (MD) and Monte Carlo methods that employ atomic interactions from classical interatomic potentials, as well as contributions from ab initio MD. We conclude with a summary of our findings.1 Introduction Although few inorganic materials are used in their liquid state, liquids play an important role in the manufacture of many materials. This can be either because they are processed from the liquid or, for fulfilling performance criteria, the formation of the liquid phase must be avoided. Additionally, there are now a number of commercially available amorphous solids, both in the form of oxides and metallic glasses, and accurate descriptions of these sys-tems are necessary over a wide range of temperatures. How-ever, liquid phases of many inorganic substances are only sta-ble at high temperatures where the experimental determination of their properties is more challenging than at lower tem-peratures. Many amorphous phases are, at best, metastable and their properties can be difficult to measure. In addition, the data from glassy phases cannot be directly applied to modelling liquids because they have gone through the glass transition, with the attendant sharp drop in heat capacity. As a result, the experimental data for generating and evaluating models of liquids and glasses are fairly sparse. This has a significant impact on the development and refinement of models that strongly depend on the availability of thermodynamic data, such as those needed in CALPHAD modelling.CALPHAD is one of the major ways to model the thermodynamics of liquids. However, for many systems, especially the unaries (elements and sometimes compounds), the data necessary to develop, parameterize and validate models are limited. Theoretical approaches, e.g. first-principles or classical atomistic simulation, can help provide data

show abstract

Section: Glasses and The Glass Transitionmentioning

confidence: 99%

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Becker

Ågren

Baricco

et al. 2013

Physica Status Solidi (b)

Self Cite

View full text Add to dashboard Cite

show abstract

“…39) The detail of the viscosity model can be found elsewhere. 40) ) As B 2 O 3 content increases, viscosity slightly decreases while the SiO 2 activity increases. These changes could also increase oxygen supply to the interface and thus decrease the interfacial tension, because mass transfer becomes easier when viscosity decreases and SiO 2 decomposition (Eq.…”

Section: Dynamic Change Of Interfacial Tension Betweenmentioning

confidence: 92%

Effect of B<sub>2</sub>O<sub>3</sub> Addition to Slag on the Dynamic Change Behavior of Interfacial Tension between Liquid Iron and Molten Slag

Suzuki

Nakamoto

2022

ISIJ Int.

View full text Add to dashboard Cite

“…Many physical properties show abnormal behaviour at these compositions, e.g. the viscosity [65], density and thermal expansion [66,67].…”

Section: Borate and Borosilicate Meltsmentioning

confidence: 99%

“…The availability of the large multicomponent thermodynamic oxide database made it possible to develop a new model for the viscosity of liquid slags [65,[92][93][94][95][96][97][98]. It is distinct from other viscosity models in that it directly relates the viscosity to the structure of the melt, and the structure, in turn, is calculated from the model parameters of the thermodynamic database for molten oxides.…”

Section: Viscosity Of Oxide Melts and Glassesmentioning

confidence: 99%

Thermodynamic database for multicomponent oxide systems

Decterov

2018

Chim.Tech.Acta

View full text Add to dashboard Cite

Thermodynamic database for multicomponent oxide systems A state-of-the-art thermodynamic database has been developed for multicomponent oxide systems. It can be used in combination with FactSage software to calculate the properties of metallurgical slags, glasses, ceramics, refractories, minerals, cements, etc. The database has been developed by collecting all available structural, thermodynamic, and phase equilibria data for a particular chemical system, critical evaluation of this information, developing a thermodynamic model for each solution phase and optimization of model parameters to reproduce the experimental data. Then the models are used to estimate the thermodynamic properties of multicomponent solutions from the properties of lower-order subsystems. Oxide phases often exhibit complex structures and strong interactions between components, which require more sophisticated models than are normally used, for example, for metal alloys. Short-range ordering is rather common and random mixing is often not a good approximation. The models for multicomponent liquid and solid solutions have been developed within the Modified Quasichemical Formalism and Compound Energy Formalism. Optimized model equations are consistent with thermodynamic principles and fully characterize a chemical system, requiring much less experimental work to achieve this goal since only a few measurements are needed in higher-order systems to validate the model estimates. The database can be readily used in conjunction with the FactSage Gibbs energy minimization software to calculate any stable or metastable phase equilibria and phase diagrams. The present article outlines the major components and phases that are currently available in the oxide database, as well as the most important features of the models that have been developed. The model and database have also been developed for the viscosity of oxide melts and glasses. The model links the viscosity to the structure of the liquid phase, which is estimated using the thermodynamic database.

show abstract

A model to calculate the viscosity of silicate melts

Cited by 27 publications

References 20 publications

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Effect of B<sub>2</sub>O<sub>3</sub> Addition to Slag on the Dynamic Change Behavior of Interfacial Tension between Liquid Iron and Molten Slag

Thermodynamic database for multicomponent oxide systems

Contact Info

Product

Resources

About