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An Externally-Heated Diamond Anvil Cell for Synthesis and Single-Crystal Elasticity Determination of Ice-VII at High Pressure-Temperature Conditions
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EOS calculations for hydrothermal diamond anvil cell operation.

Volker Presser1, Martin Heiss, Klaus G Nickel

  • 1Institute for Geoscience, Applied Mineralogy, Eberhard-Karls-Universitat Tubingen, D-72074 Tubingen, Germany. volker.presser@uni-tuebingen.de

The Review of Scientific Instruments
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Summary

This study details using water's equation of state (EOS) for accurate pressure-temperature measurements in hydrothermal diamond anvil cell (HDAC) experiments. New polynomial equations simplify density calculations from melting temperature, aiding HDAC research.

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Area of Science:

  • Geophysics
  • Physical Chemistry
  • Materials Science

Background:

  • Hydrothermal diamond anvil cell (HDAC) enables high-temperature, high-pressure experiments.
  • Accurate pressure determination in isochoric volumes is crucial for HDAC experiments.
  • Equations of state (EOS) for water offer an alternative to direct pressure measurement.

Purpose of the Study:

  • To review the theoretical background and provide equations for applying water's EOS in HDAC experiments.
  • To summarize current knowledge and thermodynamic data for HDAC applications.
  • To introduce new methods for calculating fluid density and address nucleation challenges.

Main Methods:

  • Utilizing the IAPWS-95 formulation for thermodynamic properties of water.
  • Calculating fluid density via melting point or homogenization methods.
  • Determining pressure-temperature or density-temperature relationships using EOS.

Main Results:

  • p-T conditions derived from IAPWS-95 align with direct measurements and other EOS formulations.
  • Methods for calculating density and pressure are explained.
  • New polynomial equations enable direct density calculation from melting temperature.

Conclusions:

  • The application of water's EOS, particularly IAPWS-95, provides reliable pressure-temperature data for HDAC experiments.
  • The study introduces practical calculation methods and addresses nucleation issues in HDAC operations.
  • Freely available spreadsheet tools are provided for calculating fluid density from melting temperature.