A new method of estimating the liquidus temperature of coal ash slag using ash composition

WJ Shi and X Dai and J Bai and LX Kong and J Xu and XM Li and ZQ Bai and W Li, CHEMICAL ENGINEERING SCIENCE, 175, 278-285 (2018).

DOI: 10.1016/j.ces.2017.10.002

The liquidus temperature (T-liq) of coal ash is above the temperature at which the last solid phase disappeared. T-liq of coal ash slag is widely used to evaluate ash fusion and flow behaviors. The method of determining the liquidus temperature is based on phase equilibrium, the activation energy of viscous flow and chemical composition models. In this work, a linear relation between average molar ionic potential (I-a) and potential energy (P-e) as well as T-liq and potential energy is supported by molecular dynamics simulations. We correlated T-liq (derived from thermodynamic equilibrium calculation) and the molar ionic potential of the chemical composition. The linear relation between coal ash composition and the T-liq is established for the first time, with T-liq = (170.43 - 3.1457 x I-a) x S/A thorn 15.725 x I-a thorn 360.78 (DE < 40 degrees C). The SiO2/Al2O3 ratio (simplified as S/A, calculated by mass basis), a key factor in Tliq, is also introduced into the equation. The relation supplies a convenient method to determine T-liq of multicomponent silicates, specifically using the coal ash based ionic potential of chemical composition. (C) 2017 Elsevier Ltd. All rights reserved.

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