Thermodynamic model and physico-chemical properties of silicate melts

Daněk, V.; Licko, T.

doi:10.1016/0009-2541(92)90071-c

Cited by 5 publications

(5 citation statements)

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“…This suggests that the applicability of the UW model is limited to a narrow composition range. The predicted values by the present model outside the composition range for which experimental data [5,[20][21][22] for the CaO-FeO-Fe 2 O 3 -SiO 2 system. Fig.…”

Section: Modeling Resultsmentioning

confidence: 97%

“…[5,[20][21][22] Seki and Oeters [20] and Danek et al [21] investigated the effect of iron oxide on viscosity at a fixed ratio of CaO/SiO 2 . The results show that viscosity decreases with increasing iron oxide contents (X FeO ϩ ) at a given CaO/SiO 2 ratio.…”

Section: Higher-order Systemsmentioning

confidence: 99%

“…As such, a considerable number of experimental investigations have been carried out in the past. [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22] There have also been general reviews which collated and evaluated the available experimental viscosity data. [3,[23][24][25] In particular, the reviews by Mills and Keene [23] and Utigard and Warczok [3] provide detailed discussions on the general behavior of viscosity and the applicability of some models.…”

Section: Introductionmentioning

confidence: 99%

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Review and modeling of viscosity of silicate melts: Part II. viscosity of melts containing iron oxide in the CaO-MgO-MnO-FeO-Fe2O3-SiO2 system

Zhang

Jahanshahi

1998

Metall Mater Trans B

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The viscosity of iron-containing silicate slags in the CaO-MgO-MnO-FeO-Fe 2 O 3 -SiO 2 system has been reviewed by analyzing the available experimental data and the results of modeling studies. The model proposed by the present authors [1] for the calculation of viscosity of silicate melts has been found to provide a reasonably good description of the behavior of the viscosity of these melts with respect to both the change in silica content and the effect of different cations on viscosity. The results of the present model are compared with those of the Urbain model [2] and that proposed by Utigard and Warczok (the UW model). [3] The present model and the UW model gave a similar order of accuracy, while the results of the Urbain model tended to be higher than the experimental data for most systems examined. Although none of these models is capable of representing some peculiar behaviors, such as the peak observed around the fayalite composition in the FeO-SiO 2 binary system and the isoviscosity contours found in the MnO-FeO-SiO 2 system, they are considered to be very useful for representing the general behavior of viscosity in the systems studied.

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Section: Modeling Resultsmentioning

confidence: 97%

Section: Higher-order Systemsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Review and modeling of viscosity of silicate melts: Part II. viscosity of melts containing iron oxide in the CaO-MgO-MnO-FeO-Fe2O3-SiO2 system

Zhang

Jahanshahi

1998

Metall Mater Trans B

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“…1. These surface tensions were obtained by minimizing the average error between the calculated results and literature values, 6,18,32,[34][35][36][37][38][39][40][41] as expressed by Eq. (6) for each system temperature.…”

Section: Resultsmentioning

confidence: 99%

Surface Tension Evaluation of Molten Silicates Containing Surface-active Components (B2O3, CaF2 or Na2O)

Nakamoto¹,

Tanaka

Holappa³

et al. 2007

ISIJ Int.

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“…Our extension allows to simulate ET between freely diffusing species and systems with very high concentration of electroactive ions, when every (or almost every) particle can be involved in an ET process. Examples of such systems are so‐called ionic‐electronic melts . The presented method can be useful for studying mixed ionic‐electronic conductivity not only in liquids but also in glasses and crystalline solids too.…”

Section: Introductionmentioning

confidence: 99%

A new extension of classical molecular dynamics: An electron transfer algorithm

Расковалов

2017

J Comput Chem

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The molecular dynamics is one of the most widely used methods for the simulation of the properties corresponding to ionic motion. Unfortunately, classical molecular dynamics cannot be applied for electron transfer simulation. Suggested modification of the molecular dynamics allows performing the electron transfer from one particle to another during simulation runtime. All additional data structure and the corresponding algorithms are presented in this article. The method can be applied to the systems with pair Van der Waals and Coulomb interactions. Moreover, it may be extended for many-bodied interatomic interactions. In addition, an algorithm of transference numbers calculation has been designed. This extension is not an independent method but it can be useful for simulating the systems with high concentration of electron donors and acceptors. © 2017 Wiley Periodicals, Inc.

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Thermodynamic model and physico-chemical properties of silicate melts

Cited by 5 publications

References 1 publication

Review and modeling of viscosity of silicate melts: Part II. viscosity of melts containing iron oxide in the CaO-MgO-MnO-FeO-Fe2O3-SiO2 system

Review and modeling of viscosity of silicate melts: Part II. viscosity of melts containing iron oxide in the CaO-MgO-MnO-FeO-Fe2O3-SiO2 system

Surface Tension Evaluation of Molten Silicates Containing Surface-active Components (B2O3, CaF2 or Na2O)

A new extension of classical molecular dynamics: An electron transfer algorithm

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