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Abstract <p>The treatment of tin and calcium oxides in a subcritical steam medium (270°C) and a supercritical water fluid medium (400°C) in an autoclave leads to the formation of CaSn(OH)<sub>6</sub> and CaSnO<sub>3</sub> crystals, correspondingly. The mechanism of interaction during the formation of new phases in a water fluid medium, which is based on an increase in solid-phase mobility in the hydrated areas of surface of solid reactants, is discussed. It is this difference that distinguishes synthesis of mixed oxide in a water fluid medium from the ordinary hydrothermal method, where the components interact in an aqueous solution. The potential energy function used for molecular dynamics simulation of the interaction of CaSn(OH)<sub>6</sub> with water at 25 and 270°C is calculated by the density functional theory method.</p>

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Mechanism of Calcium Stannate Crystallization in Sub- and Supercritical Water Fluids

  • 期刊论文

  • 发表日期：

    2025年12月1日

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  • D. K. Garanin,
  • T. V. Bogdan,
  • Yu. D. Ivakin,
  • E. V. Tararushkin,
  • V. I. Bogdan

摘要

Abstract

The treatment of tin and calcium oxides in a subcritical steam medium (270°C) and a supercritical water fluid medium (400°C) in an autoclave leads to the formation of CaSn(OH)6 and CaSnO3 crystals, correspondingly. The mechanism of interaction during the formation of new phases in a water fluid medium, which is based on an increase in solid-phase mobility in the hydrated areas of surface of solid reactants, is discussed. It is this difference that distinguishes synthesis of mixed oxide in a water fluid medium from the ordinary hydrothermal method, where the components interact in an aqueous solution. The potential energy function used for molecular dynamics simulation of the interaction of CaSn(OH)6 with water at 25 and 270°C is calculated by the density functional theory method.