<p>In the following article the authors want to express a caveat on the use of complex equilibrium software, especially with respect to the incorporation of ideal solutions as a user defined “on the fly” option into such calculations. The background is the analysis of the phase behavior of the overall composition Fe<sub>2</sub>O<sub>3</sub> + x H<sub>2</sub> in the Fe–H–O system as a function of temperature. The different phase respectively species distributions resulting from variation of x, the molar amount of H<sub>2</sub> relative to one mole of hematite, are investigated. Thermodynamically clearly inconsistent results in recent publications are discussed and consistent results are given to fully understand the reduction paths of Fe<sub>2</sub>O<sub>3</sub> for different temperatures and hydrogen amounts. For a series of x values the paths are integrated into the T vs x<sub>O</sub> (Type 2) phase diagram of the Fe–O system, i.e. navigation in the phase diagram is provided (see the Graphical Abstract).</p> Graphical Abstract <p></p>

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The Thermodynamics of Fe–H–O System Using Two Different Software

  • Klaus Hack,
  • Markus A. Reuter

摘要

In the following article the authors want to express a caveat on the use of complex equilibrium software, especially with respect to the incorporation of ideal solutions as a user defined “on the fly” option into such calculations. The background is the analysis of the phase behavior of the overall composition Fe2O3 + x H2 in the Fe–H–O system as a function of temperature. The different phase respectively species distributions resulting from variation of x, the molar amount of H2 relative to one mole of hematite, are investigated. Thermodynamically clearly inconsistent results in recent publications are discussed and consistent results are given to fully understand the reduction paths of Fe2O3 for different temperatures and hydrogen amounts. For a series of x values the paths are integrated into the T vs xO (Type 2) phase diagram of the Fe–O system, i.e. navigation in the phase diagram is provided (see the Graphical Abstract).

Graphical Abstract